SCHEMBL3883749

SCHEMBL3883749

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TRPA1 O75762 3/20 0.43
FFAR4 Q5NUL3 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP7 Q93009 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
STK17B O94768 1/20 0.38
MAP3K8 P41279 1/20 0.38
STK17A Q9UEE5 1/20 0.38
LTB4R Q15722 2/20 0.38
CDC7 O00311 1/20 0.38
AR P10275 1/20 0.38
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
ROCK2 O75116 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 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
SCHEMBL3884519 0.91 TRPA1 (0.41) TRPA1MEN1KMT2AUSP7CDC7
SCHEMBL3884708 0.90 S1PR1 (0.45) TRPA1FFAR4TP53MDM2STK17B
SCHEMBL3884883 0.87 LTB4R (0.47) TRPA1FFAR4MEN1KMT2AUSP7
SCHEMBL3892440 0.86 TRPA1 (0.42) TRPA1MEN1KMT2AUSP7STK17A
SCHEMBL3883849 0.85 THRA (0.47) THRATHRBFFAR4TP53MDM2
SCHEMBL27627093 0.85 LTB4R (0.46) THRATHRBTRPA1FFAR4MEN1
SCHEMBL3882113 0.84 FFAR4 (0.51) THRATHRBTRPA1FFAR4
SCHEMBL3880673 0.83 CTNNB1 (0.44) TRPA1FFAR4TP53MDM2LTB4R
SCHEMBL27627114 0.83 FFAR1 (0.46) TRPA1FFAR4TP53MDM2ROCK2
SCHEMBL3883753 0.82 TP53 (0.46) TRPA1FFAR4TP53MDM2CDC7

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 3187/4885TRPA1 135/4885

“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.