SCHEMBL4547663

SCHEMBL4547663

[3H]c1ccc(CCC(Cc2cc(F)c(C)c(F)c2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.43
CPA3 P15088 1/20 0.41
CYP1A2 P05177 1/20 0.41
FOLH1 Q04609 2/20 0.40
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 3/20 0.39
LAP3 P28838 3/20 0.39
POLB P06746 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
SCHEMBL4547662 0.79 POLB (0.31) POLB
SCHEMBL4547670 0.78 POLB (0.33) POLB
SCHEMBL13629652 0.78 CHRM1 (0.47) PTGESALOX5PPARGCPA3CYP1A2
SCHEMBL1859177 0.74 CYP1A2 (0.73) ANPEPCPA3CYP1A2FOLH1ERAP2
SCHEMBL12035903 0.71 FFAR4 (0.41) POLB
SCHEMBL10327379 0.70 CPA3 (0.50) ANPEPPPARGCPA3CYP1A2FOLH1
SCHEMBL4547668 0.69 ALOX5 (0.40) PTGESALOX5PPARGCYP1A2FOLH1
SCHEMBL1857365 0.68 CYP1A2 (0.61) ANPEPCPA3CYP1A2FOLH1ERAP2
SCHEMBL7439191 0.67 GRIK1 (0.64) ANPEPCPA3CYP1A2FOLH1ERAP2
SCHEMBL7439193 0.67 GRIK1 (0.64) ANPEPCPA3CYP1A2FOLH1ERAP2

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-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 ANPEP 1102/4885PTGES 1662/4885ALOX5 1580/4885

“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.