SCHEMBL1013404

SCHEMBL1013404

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.42
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
POLQ O75417 1/20 0.39
NOTUM Q6P988 1/20 0.38
PDE1C Q14123 3/20 0.37
TRPA1 O75762 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
USP7 Q93009 1/20 0.35
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CACNA1H O95180 1/20 0.34

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 0.86 CCNC (0.45) ARCCNCCDK8POLQNOTUM
SCHEMBL1013359 0.86 FAAH (0.44) ARCCNCCDK8POLQPDE1C
SCHEMBL1012899 0.85 CCNC (0.44) ARCCNCCDK8POLQNOTUM
SCHEMBL1013067 0.85 CCNC (0.44) ARCCNCCDK8POLQNOTUM
SCHEMBL1011231 0.84 CCNC (0.40) ARCCNCCDK8POLQNOTUM
SCHEMBL1013167 0.81 AR (0.45) ARPOLQTRPA1
SCHEMBL1013627 0.81 CCNC (0.41) ARCCNCCDK8POLQNOTUM
SCHEMBL14313623 0.80 AR (0.46) ARCCNCCDK8POLQNOTUM
SCHEMBL1016415 0.79 AR (0.40) ARCCNCCDK8TRPA1
SCHEMBL1014302 0.79 AR (0.42) ARCCNCCDK8POLQTRPA1

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 AR 4054/4885CCNC 4730/4885CDK8 4422/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885CCNC 4730/4885CDK8 4422/4885

“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.