SCHEMBL4550996

SCHEMBL4550996

CCOC(=O)CCCCC(Cc1cc(F)c(O)c(F)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
PTGES O14684 3/20 0.39
PPARG P37231 3/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.36
PPARA Q07869 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
TNF P01375 1/20 0.35
FOLH1 Q04609 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.93 ALOX5 (0.40) ALOX5PTGESPPARGCYP1A2KMT2A
SCHEMBL2676202 0.84 PTGES (0.35) ALOX5PTGESPPARGCYP1A2KMT2A
SCHEMBL4550957 0.81 CYP4Z1 (0.37) ALOX5CYP1A2KMT2ACYP4Z1TNF
SCHEMBL9442220 0.77 FOLH1 (0.48) ALOX5PTGESPPARGCYP1A2KMT2A
SCHEMBL4547657 0.75 CYP1A2 (0.40) CYP1A2KMT2ACYP4Z1TNFCYP4F2
SCHEMBL2295351 0.75 FOLH1 (0.46) ALOX5PTGESPPARGPPARAFOLH1
SCHEMBL2302006 0.74 CYP4F2 (0.54) ALOX5CYP1A2CYP4Z1CYP4F2CYP4A11
SCHEMBL4547658 0.74 CYP1A2 (0.39) CYP1A2KMT2ACYP4Z1TNFCYP4F2
SCHEMBL13629652 0.73 CHRM1 (0.47) ALOX5PTGESPPARGCYP1A2PPARA
SCHEMBL14360165 0.72 CA2 (0.53) CYP1A2KMT2AALDH1A1

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 ALOX5 1580/4885PTGES 1662/4885PPARG 73/4885

“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.