SCHEMBL1014302

SCHEMBL1014302

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(NCC(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.42
CDK8 P49336 7/20 0.39
CCNC P24863 6/20 0.39
POLQ O75417 1/20 0.38
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ACHE P22303 1/20 0.36
USP7 Q93009 1/20 0.35
TRPA1 O75762 1/20 0.35
CACNA1H O95180 1/20 0.35
STK16 O75716 1/20 0.34
CDK19 Q9BWU1 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
SCHEMBL1017267 0.91 AR (0.45) ARCDK8CCNCSLC16A3SLC16A1
SCHEMBL1014251 0.83 CDK8 (0.43) ARCDK8CCNCPOLQSLC16A3
SCHEMBL1013864 0.83 CCNC (0.38) ARCDK8CCNCPOLQSLC16A3
SCHEMBL14313623 0.81 AR (0.46) ARCDK8CCNCPOLQUSP7
SCHEMBL1013404 0.79 AR (0.42) ARCDK8CCNCPOLQUSP7
SCHEMBL1016472 0.77 CCNC (0.45) ARCDK8CCNCPOLQUSP7
SCHEMBL1012795 0.75 CCNC (0.44) ARCDK8CCNCPOLQMAOB
SCHEMBL1013067 0.75 CCNC (0.44) ARCDK8CCNCPOLQUSP7
SCHEMBL1012899 0.75 CCNC (0.44) ARCDK8CCNCPOLQUSP7
SCHEMBL1011231 0.74 CCNC (0.40) ARCDK8CCNCPOLQUSP7

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

“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.