SCHEMBL2279174

SCHEMBL2279174

COCOc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PTPN1 P18031 1/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
SCN4A P35499 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL30179627 1.00 ALDH1A1 (0.50) ALDH1A1PTPN1GLAKDM4ECYP1A2
SCHEMBL30741239 0.85 CA12 (0.48) ALDH1A1PTPN1GLAKDM4ECYP1A2
SCHEMBL30741241 0.85 CA12 (0.48) ALDH1A1PTPN1GLAKDM4ECYP1A2
SCHEMBL3185351 0.85 CA12 (0.48) ALDH1A1PTPN1GLAKDM4ECYP1A2
SCHEMBL23301788 0.85 PTPN1 (0.42) ALDH1A1PTPN1GLAKDM4ECYP1A2
SCHEMBL22182755 0.83 HTR1B (0.55) ALDH1A1PTPN1KDM4ETDP1L3MBTL1
SCHEMBL1710090 0.80 TDP1 (0.54) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL12454829 0.79 CYP1A2 (0.50) ALDH1A1PTPN1CYP1A2MEN1KMT2A
SCHEMBL6932234 0.79 PTPN1 (0.49) ALDH1A1PTPN1GLAKDM4ESCN4A
SCHEMBL19617278 0.79 PTPN1 (0.49) ALDH1A1PTPN1GLAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996916-A Compositions and methods for preventing and/or treating mitochondrial diseases including friedreich ataxia 康德生物医疗有限公司 2023-04-21 CN disclosed
CN-111170973-B Synthetic method of benzofuranone 安徽中羰碳一工业技术有限责任公司 2023-02-17 CN disclosed
CN-111170973-A Synthetic method of benzofuranone 安徽中羰碳一工业技术有限责任公司 2020-05-19 CN disclosed
WO-2019196898-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF 中国科学院大连化学物理研究所 2019-10-17 WO disclosed
EP-3468961-A1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS Galapagos NV (BE) 2019-04-17 EP disclosed
US-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2019-02-12 US disclosed
WO-2017211667-A1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2017-12-14 WO disclosed
EP-2885297-B1 TRISUBSTITUTED PYRIDO[3,2-D]PYRIMIDINES, THEIR PREPARATION PROCESS AND THEIR THERAPEUTICAL USES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-10-11 EP disclosed
CN-107001281-A Substituted benzothiophene radical derivative is used as the GPR40 activators for treating type ii diabetes 詹森药业有限公司 2017-08-01 CN disclosed
CN-102844047-B Immunogenic composition containing TLR active regulators 诺华股份有限公司 2017-04-05 CN disclosed
CN-1819984-A Method for producing aromatic aldehyde IHARA CHEMICAL IND CO (JP) 2006-08-16 CN disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
EP-0403026-B1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DOWELANCO (US) 1994-03-02 EP disclosed
US-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-5071465-A Preemergence; postemergence THE DOW CHEMICAL COMPANY (US) 1991-12-10 US disclosed
US-4999448-A ALKYLATION WITH PHENYLTHIOMETHYL LITHIUM COMPOUND, CYCLIZATION, INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1991-03-12 US disclosed
EP-0403026-A1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DowElanco (US) 1990-12-19 EP disclosed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 US 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 (1 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-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof DPYD, TYMP, RRM2B ALDH1A1 346/4885PTPN1 1724/4885GLA 3483/4885

“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.