SCHEMBL1011507

SCHEMBL1011507

Cc1cc(O)c(-c2ccc3c(cnn3C)c2)cc1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.46
CDK8 P49336 6/20 0.46
AR P10275 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
USP7 Q93009 1/20 0.42
TRPA1 O75762 1/20 0.42
KMO O15229 2/20 0.39
NOTUM Q6P988 1/20 0.39
POLQ O75417 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL13389324 0.93 CCNC (0.46) CCNCCDK8ARUSP7TRPA1
SCHEMBL1016472 0.88 CCNC (0.45) CCNCCDK8ARUSP7TRPA1
SCHEMBL1014398 0.87 CCNC (0.43) CCNCCDK8ARNPSR1USP7
SCHEMBL13389321 0.86 USP7 (0.47) CCNCCDK8ARUSP7TRPA1
SCHEMBL1012900 0.84 CCNC (0.44) CCNCCDK8ARUSP7TRPA1
SCHEMBL14313623 0.83 AR (0.46) CCNCCDK8ARNPSR1USP7
SCHEMBL14291842 0.82 FAAH (0.45) CCNCCDK8AR
SCHEMBL13389111 0.81 USP7 (0.47) CCNCCDK8ARUSP7TRPA1
SCHEMBL14968698 0.80 AR (0.53) CCNCCDK8ARNOTUMHDAC8
SCHEMBL14968682 0.79 AR (0.52) CCNCCDK8AR

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.