SCHEMBL161792

SCHEMBL161792

O=Cc1cccc2c1OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.48
MAOB P27338 4/20 0.47
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERN1 O75460 1/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 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
SCHEMBL29706697 1.00 GSK3B (0.54) GSK3BABCG2MAOBTDP1LMNA
Cyclohexylamine SCHEMBL7802679 0.83 GSK3B (0.43) GSK3BABCG2MAOBTDP1LMNA
SCHEMBL8489579 0.83 KDM4E (0.70) GSK3BMAOBHSD17B10KDM4EMAPT
SCHEMBL8489573 0.83 KDM4E (0.70) GSK3BMAOBHSD17B10KDM4EMAPT
SCHEMBL1403601 0.83 MAOB (0.48) GSK3BABCG2MAOBTDP1LMNA
SCHEMBL1403602 0.83 MAOB (0.48) GSK3BABCG2MAOBTDP1LMNA
SCHEMBL1012582 0.83 KDM4E (0.61) GSK3BTDP1LMNAKMT2AMEN1
SCHEMBL6852501 0.81 TDP1 (0.46) GSK3BTDP1LMNAKMT2AMEN1
SCHEMBL4803778 0.81 GSK3B (0.49) GSK3BABCG2MAOBTDP1LMNA
SCHEMBL438892 0.81 GSK3B (0.49) GSK3BABCG2MAOBTDP1ALDH1A1

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 1119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024139373-A1 METHOD FOR SYNTHESIZING FLUDIOXONIL INTERMEDIATE 2,2-DIFLUORO-1,3-BENZODIOXOLE-4-FORMALDEHYDE 淮北师范大学 2024-07-04 WO claimed
CN-117567486-A Tridentate copper complex with high chemical nuclease activity and preparation method thereof 南华大学 2024-02-20 CN claimed
CN-114907308-B Refining method of 3, 4-methylenedioxy benzaldehyde 河北海力恒远新材料股份有限公司 2023-08-29 CN claimed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US claimed
CN-114057723-B Synthesis method of 13-methyl berberine alkaloid 四川大学 2023-05-26 CN claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US claimed
CN-114907308-A Refining method of 3, 4-methylenedioxybenzaldehyde 河北海力香料股份有限公司 2022-08-16 CN claimed
CN-114057723-A Synthetic method of 13-methyl berberine alkaloid 四川大学 2022-02-18 CN claimed
EP-2809760-B1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO KGAA (DE) 2019-03-20 EP claimed
CN-108349930-A Substituted Tricycles and Methods of Use 艾伯维公司 2018-07-31 CN claimed
EP-0931083-A4 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS HARVARD COLLEGE (US) 2000-05-24 EP claimed
EP-0931083-A1 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-28 EP claimed
WO-1998012198-A1 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-03-26 WO claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0302980-B1 1,4-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DELAGRANGE S.A. (ES) 1991-03-13 EP claimed
CN-1031531-A 1,4-dihydropyridine its preparation method and be used for the purposes of medicine DELAGRANGE LAB (ES) 1989-03-08 CN claimed
EP-0302980-A1 1,4-Dihydropyridines, process for their preparation and their use as medicaments LABORATORIOS DELAGRANGE S.A. (ES) 1989-02-15 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 GSK3B 2241/4885ABCG2 17/4885MAOB 3977/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 GSK3B 2332/4885ABCG2 17/4885MAOB 3994/4885

“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.