SCHEMBL3886352

SCHEMBL3886352

COC(=O)CCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
DDR2 Q16832 1/20 0.42
MAOB P27338 2/20 0.42
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR2 O15552 1/20 0.41
CDK2 P24941 1/20 0.40
TRPA1 O75762 6/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HPSE Q9Y251 1/20 0.38
PPARA Q07869 1/20 0.37
VCP P55072 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
SCHEMBL3882008 0.90 KDM4E (0.44) MAOBFFAR4FFAR1TRPA1GSK3B
SCHEMBL3881720 0.90 FFAR4 (0.46) AKT1FFAR4FFAR1FFAR2CDK2
SCHEMBL27607941 0.87 S1PR3 (0.43) AKT1FFAR4FFAR1FFAR2CDK2
SCHEMBL3883570 0.87 FFAR4 (0.42) FFAR4FFAR1FFAR2PPARAVCP
SCHEMBL3883121 0.83 CCNC (0.48) AKT1FFAR4FFAR1FFAR2CDK2
SCHEMBL3886347 0.83 AKT1 (0.44) AKT1DDR2MAOBFFAR1CDK2
SCHEMBL27627110 0.81 TRPA1 (0.41) MAOBTRPA1MEN1KMT2AROCK2
SCHEMBL3884519 0.81 TRPA1 (0.41) MAOBTRPA1MEN1KMT2AROCK2
SCHEMBL3884799 0.80 TP53 (0.49) FFAR4FFAR1TRPA1GSK3BROCK2
SCHEMBL3882113 0.80 FFAR4 (0.51) MAOBFFAR4FFAR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 AKT1 2611/4885DDR2 4577/4885MAOB 4115/4885

“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.