SCHEMBL3885580

SCHEMBL3885580

COC(=O)CCc1cc(F)c(OC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
TRPA1 O75762 5/20 0.40
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 3/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
POLB P06746 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
S1PR1 P21453 1/20 0.36
AR P10275 1/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 1/20 0.36
GSK3B P49841 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3881095 0.90 THRA (0.47) MAPK14TRPA1ROCK2ROCK1THRA
SCHEMBL3882443 0.89 THRA (0.48) MAPK14TRPA1ROCK2ROCK1CDC7
SCHEMBL3679980 0.85 MAPK14 (0.43) MAPK14TRPA1ROCK2ROCK1CCNC
SCHEMBL3881928 0.85 MAPK14 (0.42) MAPK14TRPA1ROCK2ROCK1CCNC
SCHEMBL3882064 0.85 MAPK14 (0.42) MAPK14TRPA1ROCK2ROCK1CCNC
SCHEMBL3893294 0.83 MAPK14 (0.41) MAPK14TRPA1ROCK2ROCK1CCNC
SCHEMBL3882157 0.82 CACNA1H (0.42) CCNCCDK8ARDRD4SIGMAR1
SCHEMBL3892069 0.81 THRA (0.40) CCNCCDK8THRATHRB
SCHEMBL3676420 0.79 THRA (0.47) MAPK14TRPA1ROCK2ROCK1POLB
SCHEMBL3882183 0.79 TRPA1 (0.45) TRPA1ROCK2ROCK1CDC7KDR

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 MAPK14 1861/4885TRPA1 135/4885ROCK2 3245/4885

“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.