SCHEMBL13629652

SCHEMBL13629652

CCCC(Cc1cc(F)c(C)c(F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
AKR1A1 P14550 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 6/20 0.41
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 5/20 0.41
EPHX2 P34913 1/20 0.39
CPA3 P15088 1/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL4547668 0.81 ALOX5 (0.40) PPARGPTGESALOX5PPARACYP1A2
SCHEMBL4547663 0.78 ANPEP (0.44) PPARGPTGESALOX5CPA3CYP1A2
SCHEMBL29865172 0.77 PPARA (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12035903 0.76 FFAR4 (0.41) HDAC1PPARAPPARD
SCHEMBL16089573 0.75 SLC7A5 (0.52) HTR2ATDP1PPARGCYP1A2
SCHEMBL12493539 0.74 PPARA (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12493992 0.74 PPARA (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4550704 0.74 CYP1A2 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6657008 0.74 CYP1A2 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4547656 0.74 PPARA (0.43) PPARGPTGESALOX5PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM1 3975/4885AKR1A1 834/4885CHRM3 2839/4885

“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.