SCHEMBL3880464

SCHEMBL3880464

CC(C)C(C)COc1c(N)cc(CCC(=O)O)cc1-c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
FFAR1 O14842 6/20 0.42
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CASR P41180 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCL2L1 Q07817 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL27701521 0.92 FFAR4 (0.46) FFAR4CCNCCDK8FFAR1CYP2D6
SCHEMBL3894659 0.90 CCNC (0.48) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3886441 0.87 AKR1C3 (0.40) FFAR4FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3882491 0.86 THRA (0.53) FFAR4CCNCCDK8FFAR1CYP2D6
SCHEMBL3885654 0.84 FFAR4 (0.41) FFAR4CCNCCDK8FFAR1CYP2D6
SCHEMBL27627100 0.83 FFAR1 (0.51) FFAR4CCNCCDK8FFAR1THRA
SCHEMBL27607977 0.82 THRA (0.51) FFAR4CCNCCDK8FFAR1THRA
SCHEMBL3882414 0.82 FFAR1 (0.53) FFAR4CCNCCDK8FFAR1AKR1C3
SCHEMBL3890767 0.82 FFAR1 (0.52) FFAR4CCNCCDK8FFAR1THRA
SCHEMBL28772884 0.82 CCNC (0.49) CCNCCDK8SLC6A2SLC6A4SLC6A3

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 12 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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 FFAR4 115/4885CCNC 2174/4885CDK8 3600/4885

“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.