SCHEMBL14968698

SCHEMBL14968698

Cc1cc(NCc2ccc(CC(C)C)cc2)c(-c2ccc3c(cnn3C)c2)cc1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
S1PR1 P21453 2/20 0.37
TGFBR1 P36897 2/20 0.36
CTSC P53634 1/20 0.36
VNN1 O95497 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
S1PR3 Q99500 1/20 0.36
MAPK14 Q16539 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35
LTC4S Q16873 1/20 0.35
NOTUM Q6P988 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL14968682 0.92 AR (0.52) ARCCNCCDK8TGFBR1VNN1
SCHEMBL15865895 0.90 AR (0.50) ARCCNCCDK8S1PR1S1PR3
SCHEMBL14968687 0.89 AR (0.52) ARCCNCCDK8FFAR1
SCHEMBL14313623 0.89 AR (0.46) ARCCNCCDK8HDAC8NOTUM
SCHEMBL14968683 0.88 AR (0.51) ARCCNCCDK8VNN1NOTUM
SCHEMBL15865898 0.84 AR (0.52) ARTGFBR1FFAR1FFAR4
SCHEMBL1011507 0.80 CCNC (0.46) ARCCNCCDK8HDAC8NOTUM
SCHEMBL1017267 0.79 AR (0.45) ARCCNCCDK8
SCHEMBL14291842 0.78 FAAH (0.45) ARCCNCCDK8
SCHEMBL1014398 0.76 CCNC (0.43) ARCCNCCDK8NOTUMFFAR1

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 2 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

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-20130131134-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.