SCHEMBL5251983

SCHEMBL5251983

COc1ccc2cc3c(cc2c1)C(=O)OC3=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.55
GSTP1 P09211 1/20 0.55
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAOB P27338 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA3 P07451 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL383503 0.84 CA2 (0.52) CYP2A6CYP1A2GSTP1RAB9ANPC1
SCHEMBL7454647 0.82 GSTP1 (0.60) CYP2A6CYP1A2GSTP1RAB9ANPC1
SCHEMBL7286859 0.81 GSTP1 (0.55) CYP2A6CYP1A2GSTP1MAOBKDM4E
SCHEMBL12947560 0.78 GSTP1 (0.56) CYP2A6CYP1A2GSTP1RAB9ANPC1
SCHEMBL15119600 0.78 MAOB (0.53) GSTP1RAB9ANPC1MAOBMAPT
SCHEMBL5256291 0.78 MCL1 (0.46) RAB9ANPC1MAOBKDM4EALDH1A1
SCHEMBL26882761 0.77 GSTP1 (0.55) CYP2A6CYP1A2GSTP1RAB9ANPC1
SCHEMBL7450739 0.77 GSTP1 (0.55) CYP2A6CYP1A2GSTP1KDM4EALDH1A1
SCHEMBL14007354 0.77 CYP1A2 (0.55) CYP2A6CYP1A2GSTP1RAB9ANPC1
SCHEMBL9080103 0.76 ALOX5 (0.44) CYP2A6CYP1A2RAB9ANPC1MAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
US-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP disclosed
US-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 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 (4 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-11839155-B2 Organic semiconducting compounds OCIAD2, OCIAD1, OSTC CYP2A6 2279/4885CYP1A2 1006/4885GSTP1 2077/4885
US-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 CYP2A6 2854/4885CYP1A2 1255/4885GSTP1 3257/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 CYP2A6 2618/4885CYP1A2 1076/4885GSTP1 3363/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 CYP2A6 3620/4885CYP1A2 2499/4885GSTP1 3712/4885

“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.