SCHEMBL2412849

SCHEMBL2412849

O=C(O)c1cc(-c2ccc(CN(Cc3ccccc3)C(=O)c3ccc4c(c3)OCO4)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
USP2 O75604 1/20 0.55
HTR5A P47898 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
DHFR P00374 1/20 0.46
HNF4A P41235 1/20 0.46
MCL1 Q07820 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2414417 0.93 HPGD (0.52) HPGDALDH1A1TSHRUSP2HTR5A
SCHEMBL14015153 0.92 GABRA1 (0.49) HPGDALDH1A1TSHRUSP2HTR5A
SCHEMBL2410847 0.92 GABRA1 (0.52) HPGDALDH1A1TSHRUSP2HTR5A
SCHEMBL2410446 0.89 RAB9A (0.51) HPGDALDH1A1TSHRGABRA1GABRB2
SCHEMBL2416620 0.88 GABRA1 (0.47) HPGDALDH1A1TSHRUSP2HTR5A
SCHEMBL2408990 0.87 HPGD (0.56) HPGDALDH1A1GABRA1GABRB2MAPT
SCHEMBL2412850 0.85 HPGD (0.53) HPGDALDH1A1TSHRUSP2HTR5A
SCHEMBL2413423 0.82 NPC1 (0.48) HPGDALDH1A1TSHRUSP2GABRA1
SCHEMBL2414649 0.82 STAT3 (0.58) TSHRDHFRHNF4AMCL1ACMSD
SCHEMBL2414418 0.80 HPGD (0.49) HPGDALDH1A1TSHRUSP2HTR5A

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 6 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
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 HPGD 600/4885ALDH1A1 495/4885TSHR 3064/4885

“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.