SCHEMBL669111

SCHEMBL669111

CCc1c(C)[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.73
MAPT P10636 4/20 0.67
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 4/20 0.65
TSHR P16473 1/20 0.65
KDM4E B2RXH2 3/20 0.62
POLB P06746 1/20 0.62
GAA P10253 2/20 0.61
HTR6 P50406 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
AHR P35869 1/20 0.57
KRAS P01116 1/20 0.54
PABPC1 P11940 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL18383120 0.85 MAPT (0.69) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL8552151 0.84 ALDH1A1 (0.71) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL8998008 0.82 KDM4E (0.72) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL3078541 0.82 HTT (0.57) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL26473490 0.82 MAPT (0.65) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL4423600 0.82 MAPT (0.65) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL12641259 0.82 MAPT (0.65) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL3196770 0.82 ALDH1A1 (0.73) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL9664534 0.82 MAPT (0.65) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL4921978 0.81 KDM4E (0.70) HTTMAPTCYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101408-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-05-07 EP claimed
WO-2023065716-A1 POLYPEPTIDE AND APPLICATION THEREOF AS CCK RECEPTOR AGONIST/ANTAGONIST 中国科学院香港创新研究院再生医学与健康创新中心有限公司 2023-04-27 WO disclosed
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO EMORY UNIVERSITY 2022-05-26 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-19 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
WO-2020191208-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2020-09-24 WO disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
WO-2007014258-A2 GROWTH HORMONE SECRETAGOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2007-02-01 WO disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-6872835-B2 Process for preparation of fused pyrroles JAPAN SCIENCE & TECHNOLOGY CORPORATION (JP) 2005-03-29 US disclosed
EP-1302459-B1 PROCESSES FOR PREPARATION OF FUSED PYRROLES JAPAN SCIENCE & TECH AGENCY (JP) 2004-10-27 EP disclosed
US-20040049054-A1 Process for preparation of fused pyrroles JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-03-11 US disclosed
EP-1302459-A1 PROCESSES FOR PREPARATION OF FUSED PYRROLES Japan Science and Technology Corporation (JP) 2003-04-16 EP disclosed
US-4069337-A 2-SUBSTITUTED-INDOLE-1-LOWER-ALKANECARBOXAMIDES HAVING ANTI-SECRETORY OR ANTI-ULCER ACTIVITY STERLING DRUG INC. (US) 1978-01-17 US disclosed
US-4021448-A ANTISECRETORY AND ANTIULCER ACTIVITIES STERLING DRUG INC. (US) 1977-05-03 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 (8 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTT 4475/4885MAPT 2817/4885CYP3A4 1363/4885
US-20040049054-A1 Process for preparation of fused pyrroles IDO1, IDO2, PAH HTT 708/4885MAPT 3087/4885CYP3A4 230/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HTT 4764/4885MAPT 3825/4885CYP3A4 1503/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTT 4475/4885MAPT 2817/4885CYP3A4 1363/4885
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO PTGER2, PTGES2, PTGES HTT 4594/4885MAPT 3503/4885CYP3A4 1548/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI HTT 1081/4885MAPT 1275/4885CYP3A4 1813/4885
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 HTT 3052/4885MAPT 449/4885CYP3A4 1079/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR HTT 1033/4885MAPT 4377/4885CYP3A4 4264/4885

“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.