SCHEMBL1017262

SCHEMBL1017262

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OC2Cc3ccccc3C2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CACNA1H O95180 4/20 0.37
AR P10275 2/20 0.36
CREBBP Q92793 2/20 0.36
USP30 Q70CQ3 1/20 0.36
CTSC P53634 2/20 0.35
BRD4 O60885 1/20 0.35
TRPA1 O75762 1/20 0.35
NOTUM Q6P988 1/20 0.34
PRMT5 O14744 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
SCHEMBL1014249 0.89 CCNC (0.41) CCNCCDK8ARCREBBPBRD4
SCHEMBL1013447 0.89 CCNC (0.41) CCNCCDK8ARCREBBPBRD4
SCHEMBL1013154 0.89 CCNC (0.41) CCNCCDK8ARCREBBPBRD4
SCHEMBL1016963 0.89 CCNC (0.41) CCNCCDK8ARCREBBPBRD4
SCHEMBL1012842 0.86 CCNC (0.39) CCNCCDK8ARCREBBPBRD4
SCHEMBL3884507 0.84 AR (0.41) CCNCCDK8CACNA1HARCREBBP
SCHEMBL1013738 0.83 TRPA1 (0.38) CCNCCDK8ARCREBBPBRD4
SCHEMBL1013527 0.81 AR (0.40) CCNCCDK8ARCREBBPBRD4
SCHEMBL924410 0.78 AR (0.42) CCNCCDK8ARCREBBPBRD4
SCHEMBL3884516 0.76 FFAR4 (0.43) CCNCCDK8ARCREBBPBRD4

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 KDM1A 1857/4885CCNC 4730/4885CDK8 4422/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B KDM1A 1857/4885CCNC 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.