SCHEMBL1012900

SCHEMBL1012900

COc1cc(O)c(CCC(=O)O)cc1-c1ccc2c(cnn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.44
CDK8 P49336 5/20 0.44
AR P10275 5/20 0.42
POLB P06746 1/20 0.42
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
POLQ O75417 1/20 0.41
USP7 Q93009 1/20 0.40
CACNA1H O95180 3/20 0.40
TRPA1 O75762 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL1012795 0.92 CCNC (0.44) CCNCCDK8ARPOLQUSP7
SCHEMBL1014398 0.91 CCNC (0.43) CCNCCDK8ARPOLQUSP7
SCHEMBL13389324 0.86 CCNC (0.46) CCNCCDK8ARPOLQUSP7
SCHEMBL1011507 0.84 CCNC (0.46) CCNCCDK8ARPOLQUSP7
SCHEMBL1013527 0.83 AR (0.40) CCNCCDK8ARLTB4RLTB4R2
SCHEMBL1013067 0.82 CCNC (0.44) CCNCCDK8ARPOLQUSP7
SCHEMBL1013154 0.78 CCNC (0.41) CCNCCDK8ARPOLQTRPA1
SCHEMBL1016472 0.77 CCNC (0.45) CCNCCDK8ARPOLQUSP7
SCHEMBL1016638 0.77 AR (0.41) CCNCCDK8ARPOLQCACNA1H
SCHEMBL3884003 0.75 TP53 (0.51) CCNCCDK8ARCACNA1H

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.