SCHEMBL96381

SCHEMBL96381

COc1cccc(C[O])c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
CMA1 P23946 1/20 0.59
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
MAOB P27338 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
CYP1A2 P05177 1/20 0.53
LPO P22079 1/20 0.51

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
SCHEMBL833882 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL7638048 0.83 TAAR1 (0.60) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL723511 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL30080050 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2099512 0.82 CHRM2 (0.66) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL6205291 0.80 IDO1 (0.62) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL10607028 0.80 CHRM2 (0.63) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL29908907 0.80 TAAR1 (0.62) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL12497 0.80 TAAR1 (0.62) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL27583382 0.80 TAAR1 (0.62) TAAR1IDO1AGXTCMA1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. 2024-05-16 US claimed
WO-2024054832-A1 CK1α AND DUAL CK1α / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-03-14 WO claimed
CN-107629020-B 4H-1,2, 4-oxadiazine-5 (6H) -ketone compound and synthetic method thereof 湖北科技学院 2020-09-04 CN claimed
CN-107176925-B Synthesis method of polysubstituted imidazoline-2, 4-diketone compound 湖北科技学院 2020-04-28 CN claimed
CN-107522656-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 南京大学 2017-12-29 CN claimed
CN-107501174-A A kind of synthetic method of quinoline 广州大学 2017-12-22 CN claimed
CN-107501175-A A kind of synthetic method of quinoline 广州大学 2017-12-22 CN claimed
CN-107459481-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-12 CN claimed
CN-107417611-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-01 CN claimed
CN-107417612-A A kind of synthetic method of quinoline 广州大学 2017-12-01 CN claimed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 WO claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
EP-0873519-A4 HIV PROTEASE INHIBITORS SCRIPPS RESEARCH INST (US) 2005-04-27 EP claimed
CN-1589268-A Substituted benzopyrans as selective estrogen receptor-beta agonists LILLY CO ELI (US) 2005-03-02 CN claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed
JP-2000502332-A 2000-02-29 JP claimed
EP-0873519-A1 HIV PROTEASE INHIBITORS The Scripps Research Institute (US) 1998-10-28 EP claimed
WO-1997021100-A9 HIV PROTEASE INHIBITORS 1997-10-30 WO claimed
WO-1997021100-A1 HIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-06-12 WO 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-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS CKS1B, CKS2, MARK1 TAAR1 3944/4885IDO1 1901/4885AGXT 1556/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 TAAR1 4151/4885IDO1 2220/4885AGXT 144/4885

“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.