SCHEMBL4917488

SCHEMBL4917488

COc1ccc[c]c1Cc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CHRM2 P08172 2/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8859963 0.82 LTA4H (0.44) CA12CA1CA2CA4CA7
SCHEMBL3246008 0.79 IDO1 (0.46) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL3296809 0.78 IDO1 (0.61) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL64882 0.77 CA1 (0.42) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL18706055 0.76 HTR7 (0.42) CHRM2ALDH1A1GAAMAPTCA12
SCHEMBL2411279 0.76 LMNA (0.38) ALDH1A1MAPTL3MBTL1ATMCA12
SCHEMBL2413817 0.76 KMT2A (0.38) ALDH1A1GAAMAPTCA2MAPK1
SCHEMBL1526352 0.76 CA1 (0.41) ALDH1A1MAPTL3MBTL1CA12CA1
SCHEMBL4586248 0.76 TAAR1 (0.41) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL28069112 0.76 CA1 (0.41) IDO1TAAR1CHRM2CHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7453009-B2 Hydroxybiphenyl carboxylic acids and derivatives, method for producing the same and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-18 US disclosed
US-20080027134-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-31 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 (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-20080027134-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE GPR119, HACL2, HCAR2 IDO1 3560/4885TAAR1 3096/4885CHRM2 1652/4885

“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.