SCHEMBL2416620

SCHEMBL2416620

O=C(O)c1cc(-c2ccc(CN(CC3CC3)C(=O)c3ccc4c(c3)OCO4)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
CTNNB1 P35222 1/20 0.42
HTR5A P47898 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42

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
SCHEMBL2412849 0.88 HPGD (0.56) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL12320058 0.87 LPAR1 (0.51) GABRA1GABRB2HPGDOXTRAVPR1A
SCHEMBL14015153 0.87 GABRA1 (0.49) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL2410847 0.87 GABRA1 (0.52) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL2416622 0.86 GABRA1 (0.45) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL2414417 0.84 HPGD (0.52) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL2410446 0.84 RAB9A (0.51) GABRA1GABRB2HPGDALDH1A1TSHR
SCHEMBL2408990 0.83 HPGD (0.56) GABRA1GABRB2HPGDALDH1A1
SCHEMBL2413423 0.83 NPC1 (0.48) GABRA1GABRB2HPGDUSP2ALDH1A1
SCHEMBL2413128 0.75 MCL1 (0.45) HDAC1HDAC6LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed
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-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
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 GABRA1 955/4885GABRB2 394/4885HPGD 600/4885

“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.