SCHEMBL1014249

SCHEMBL1014249

CCc1cc(OC2Cc3ccccc3C2)c(-c2ccc3c(cnn3C)c2)cc1CCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
AR P10275 5/20 0.38
TRPA1 O75762 1/20 0.37
NOTUM Q6P988 1/20 0.36
CREBBP Q92793 2/20 0.36
USP7 Q93009 1/20 0.35
BRD4 O60885 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
POLQ O75417 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 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
SCHEMBL1013447 0.92 CCNC (0.41) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1013154 0.92 CCNC (0.41) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1016963 0.92 CCNC (0.41) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1017262 0.89 KDM1A (0.40) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1012842 0.89 CCNC (0.39) CCNCCDK8ARTRPA1NOTUM
SCHEMBL3884507 0.87 AR (0.41) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1013738 0.86 TRPA1 (0.38) CCNCCDK8ARTRPA1NOTUM
SCHEMBL1013527 0.84 AR (0.40) CCNCCDK8ARTRPA1NOTUM
SCHEMBL924410 0.80 AR (0.42) CCNCCDK8ARTRPA1CREBBP
SCHEMBL3880534 0.79 CACNA1H (0.38) CCNCCDK8NOTUMPDE4APDE4B

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.