SCHEMBL1012899

SCHEMBL1012899

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.44
CDK8 P49336 6/20 0.44
AR P10275 6/20 0.43
PDE1C Q14123 2/20 0.41
POLQ O75417 1/20 0.41
USP7 Q93009 1/20 0.41
NOTUM Q6P988 1/20 0.40
TRPA1 O75762 1/20 0.39
KDM1A O60341 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL1016472 0.90 CCNC (0.45) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1014251 0.89 CDK8 (0.43) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1013067 0.88 CCNC (0.44) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1016592 0.87 AR (0.53) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1013404 0.85 AR (0.42) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1011231 0.83 CCNC (0.40) CCNCCDK8ARPDE1CPOLQ
SCHEMBL14962819 0.83 USP7 (0.47) CCNCCDK8ARUSP7TRPA1
SCHEMBL1013627 0.82 CCNC (0.41) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1013359 0.82 FAAH (0.44) CCNCCDK8ARPDE1CPOLQ
SCHEMBL1014070 0.80 CACNA1H (0.41) CCNCCDK8ARPOLQNOTUM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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 (2 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B CCNC 4730/4885CDK8 4422/4885AR 4054/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B CCNC 4730/4885CDK8 4422/4885AR 4054/4885

“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.