SCHEMBL3882491

SCHEMBL3882491

CC(C)CCOc1c(N)cc(CCC(=O)O)cc1-c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
FFAR4 Q5NUL3 5/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
FFAR1 O14842 2/20 0.42
CSF3R Q99062 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BCL2L1 Q07817 2/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MCL1 Q07820 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL3884827 0.90 CCNC (0.48) THRATHRBCCNCCDK8AKR1C3
SCHEMBL27701521 0.90 FFAR4 (0.46) THRATHRBFFAR4CCNCCDK8
SCHEMBL27627100 0.87 FFAR1 (0.51) THRATHRBFFAR4CCNCCDK8
SCHEMBL3885070 0.87 AKR1C3 (0.40) THRATHRBFFAR4FFAR1AKR1C3
SCHEMBL27607977 0.87 THRA (0.51) THRATHRBFFAR4CCNCCDK8
SCHEMBL3890767 0.86 FFAR1 (0.52) THRATHRBFFAR4CCNCCDK8
SCHEMBL3880464 0.86 FFAR4 (0.44) THRATHRBFFAR4CCNCCDK8
SCHEMBL3482820 0.85 FFAR1 (0.49) THRATHRBFFAR4CCNCCDK8
SCHEMBL3882034 0.84 THRA (0.49) THRATHRBFFAR4CCNCCDK8
SCHEMBL3882032 0.84 FFAR4 (0.43) THRATHRBFFAR4CCNCCDK8

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 THRA 1720/4885THRB 3187/4885FFAR4 115/4885

“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.