SCHEMBL14968682

SCHEMBL14968682

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
IDH1 O75874 2/20 0.36
TGFBR1 P36897 1/20 0.36
VNN1 O95497 1/20 0.36
CASR P41180 1/20 0.36
GCGR P47871 5/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14968698 0.92 AR (0.53) ARCCNCCDK8TGFBR1VNN1
SCHEMBL15865895 0.90 AR (0.50) ARCCNCCDK8IDH1
SCHEMBL14968687 0.88 AR (0.52) ARKDRCCNCCDK8NPC1
SCHEMBL14968683 0.87 AR (0.51) ARCCNCCDK8VNN1POLB
SCHEMBL14313623 0.86 AR (0.46) ARCCNCCDK8GCGR
SCHEMBL15865898 0.83 AR (0.52) ARTGFBR1POLB
SCHEMBL1011507 0.79 CCNC (0.46) ARCCNCCDK8
SCHEMBL1017267 0.78 AR (0.45) ARCCNCCDK8GCGR
SCHEMBL14291842 0.78 FAAH (0.45) ARCCNCCDK8POLB
SCHEMBL1014398 0.76 CCNC (0.43) ARCCNCCDK8

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 4054/4885FLT1 4620/4885KDR 4740/4885

“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.