SCHEMBL773960

SCHEMBL773960

Cc1cccc(CN)c1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TRPA1 O75762 2/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PNMT P11086 3/20 0.41
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20182944 0.83 GABRA1 (0.55) ALDH1A1CA1CA2TAAR1GABRA1
SCHEMBL68936 0.81 ALDH1A1 (0.62) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL263474 0.79 GABRA1 (0.73) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL1901144 0.79 ALDH1A1 (0.59) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL17666370 0.79 ALDH1A1 (0.59) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL31229333 0.79 GABRA1 (0.73) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL8748116 0.77 ALDH1A1 (0.56) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL15779798 0.77 ALDH1A1 (0.56) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL9698817 0.77 ALDH1A1 (0.56) ALDH1A1TRPA1CA12CA1CA2
SCHEMBL8900882 0.77 ALDH1A1 (0.56) ALDH1A1TRPA1CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948376-A Biodegradable polylactic acid composition and production method thereof 江西省隆旭科技有限公司 2023-10-27 CN claimed
CN-116948376-A Biodegradable polylactic acid composition and production method thereof 江西省隆旭科技有限公司 2023-10-27 CN disclosed
CN-116948376-A Biodegradable polylactic acid composition and production method thereof 江西省隆旭科技有限公司 2023-10-27 CN disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
CN-115103670-A Transcription Enhancement Associated Domain (TEAD) transcription factor inhibitors and uses thereof 达纳-法伯癌症研究所股份有限公司 2022-09-23 CN disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US disclosed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
CN-102993250-B -9-deoxidation-9A-azepine-9A-the a-homoerythromycin A derivatives that C-3 replaces Luoyang Huizhong Animal Medicine Co., Ltd. (CN) 2016-02-10 CN disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
EP-2119737-A1 Electronic packaging Evonik Degussa GmbH (DE) 2009-11-18 EP disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed
US-6190786-B1 BIS(GLYCIDYLOXY)STILBENE RESINS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-02-20 US disclosed
EP-0869140-A2 Epoxy resin composition and resin-encapsulated semiconductor device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 ALDH1A1 2666/4885TRPA1 2913/4885CA12 4848/4885
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 ALDH1A1 1092/4885TRPA1 3516/4885CA12 3539/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 ALDH1A1 2065/4885TRPA1 3537/4885CA12 4882/4885
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 ALDH1A1 633/4885TRPA1 4810/4885CA12 4670/4885
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP ALDH1A1 513/4885TRPA1 335/4885CA12 4855/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 ALDH1A1 87/4885TRPA1 4358/4885CA12 2127/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 ALDH1A1 2467/4885TRPA1 2639/4885CA12 4786/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.