SCHEMBL14968683

SCHEMBL14968683

CCOc1ccc(CNc2cc(C)c(CCC(=O)O)cc2-c2ccc3c(cnn3C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.51
CACNA1H O95180 1/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.37
VNN1 O95497 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL14968687 0.92 AR (0.52) ARCACNA1HKDM4EALDH1A1HSD17B10
SCHEMBL15865895 0.90 AR (0.50) ARCACNA1HKDM4ECCNCCDK8
SCHEMBL14968698 0.88 AR (0.53) ARCCNCCDK8FFAR1FFAR4
SCHEMBL14968682 0.87 AR (0.52) ARCCNCCDK8POLBVNN1
SCHEMBL15865898 0.85 AR (0.52) ARMAPTFFAR1FFAR4TP53
SCHEMBL14313623 0.81 AR (0.46) ARCCNCCDK8NOTUM
SCHEMBL1011507 0.78 CCNC (0.46) ARCCNCCDK8NOTUM
SCHEMBL14291842 0.76 FAAH (0.45) ARCCNCCDK8POLB
SCHEMBL1014398 0.76 CCNC (0.43) ARCACNA1HCCNCCDK8FFAR1
SCHEMBL13389324 0.74 CCNC (0.46) ARCCNCCDK8NOTUM

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 4054/4885CACNA1H 1324/4885KDM4E 1591/4885

“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.