SCHEMBL3887872

SCHEMBL3887872

Cn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
FFAR4 Q5NUL3 4/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1H O95180 1/20 0.39
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CREBBP Q92793 2/20 0.37
DRD4 P21917 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PDE1C Q14123 1/20 0.36
BRD4 O60885 1/20 0.36
FASN P49327 1/20 0.36
KDM1A O60341 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 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
SCHEMBL3881638 0.91 AR (0.42) ARFFAR4TRPA1CCNCCDK8
SCHEMBL3884090 0.90 CACNA1H (0.40) FFAR4CACNA1H
Ak-106 SCHEMBL924434 0.90 AR (0.43) ARFFAR4TRPA1CCNCCDK8
Ak-106 SCHEMBL29359236 0.90 AR (0.43) ARFFAR4TRPA1CCNCCDK8
SCHEMBL3880452 0.89 THRA (0.44) ARFFAR4CACNA1HCCNCCDK8
SCHEMBL3884940 0.88 AR (0.42) ARFFAR4TRPA1CCNCCDK8
SCHEMBL924797 0.88 AR (0.44) ARFFAR4TRPA1CCNCCDK8
SCHEMBL3889221 0.88 THRA (0.46) ARFFAR4CACNA1HCCNCCDK8
SCHEMBL2944414 0.87 AR (0.39) ARFFAR4TRPA1CCNCCDK8
SCHEMBL2944409 0.87 AR (0.39) ARFFAR4TRPA1CCNCCDK8

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 8 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
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
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 AR 630/4885FFAR4 115/4885TRPA1 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.