SCHEMBL5876108

SCHEMBL5876108

COc1ccc(C2(c3ccc(OC)cc3)C=CC(=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43
MGLL Q99685 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL14260462 0.94 OPRM1 (0.49) POLBALDH1A1ALOX5OPRM1OPRL1
SCHEMBL5876222 0.77 DAO (0.35) MGLLMAOBMAOASLC6A4SLC6A3
SCHEMBL14260464 0.77 PDE4B (0.48) ALDH1A1MAOASLC6A4PDE4B
SCHEMBL14531844 0.77 PDE4B (0.48) ALDH1A1MAOASLC6A4PDE4B
SCHEMBL744007 0.77 MEN1 (0.44) ALDH1A1OPRM1OPRL1MAOBMAOA
SCHEMBL12893236 0.75 OPRM1 (0.49) OPRM1OPRL1MAOBMAOA
SCHEMBL8667195 0.74 ALOX5 (0.39) POLBALDH1A1ALOX5OPRM1OPRL1
SCHEMBL11663562 0.73 DAO (0.39) OPRM1OPRL1MAOBMAOASLC6A4
SCHEMBL5875966 0.72 CYP2C9 (0.37) ALDH1A1OPRM1OPRL1HSD11B1
SCHEMBL9729483 0.69 HDAC4 (0.40) ALOX5MGLLOPRM1OPRL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 WO 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT POLB 4778/4885ALDH1A1 166/4885ALOX5 1317/4885

“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.