SCHEMBL3884708

SCHEMBL3884708

CC(C)COc1ccc(CCC(=O)O)cc1-c1ccc2[nH]ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
TRPA1 O75762 3/20 0.42
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
FFAR4 Q5NUL3 3/20 0.41
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 1/20 0.41
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
STK17A Q9UEE5 2/20 0.39
STK17B O94768 1/20 0.39
MAP3K8 P41279 1/20 0.39
AR P10275 1/20 0.39
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 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
SCHEMBL3883749 0.90 THRA (0.44) S1PR1TRPA1TP53MDM2FFAR4
SCHEMBL3884883 0.86 LTB4R (0.47) S1PR1TRPA1TP53MDM2FFAR4
SCHEMBL3882113 0.85 FFAR4 (0.51) TRPA1FFAR4
SCHEMBL3880673 0.85 CTNNB1 (0.44) TRPA1TP53MDM2FFAR4
SCHEMBL27627093 0.85 LTB4R (0.46) S1PR1TRPA1FFAR4
SCHEMBL27627114 0.84 FFAR1 (0.46) TRPA1TP53MDM2FFAR4ROCK2
SCHEMBL3882670 0.84 FFAR1 (0.47) S1PR1TRPA1TP53MDM2FFAR4
SCHEMBL3883753 0.83 TP53 (0.46) TRPA1TP53MDM2FFAR4CDC7
SCHEMBL3888566 0.83 FFAR1 (0.47) TP53MDM2FFAR4ROCK2MAP4K4
SCHEMBL3884799 0.83 TP53 (0.49) TRPA1TP53MDM2FFAR4CDC7

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 S1PR1 77/4885TRPA1 135/4885TP53 4018/4885

“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.