SCHEMBL1014070

SCHEMBL1014070

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OCc2ccc(F)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.41
NOTUM Q6P988 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
NR3C1 P04150 2/20 0.39
POLQ O75417 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
AR P10275 3/20 0.38
TGFBR1 P36897 1/20 0.38
PGR P06401 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR1 O14842 1/20 0.37
SMO Q99835 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL1013824 0.91 TGFBR1 (0.41) NOTUMNR3C1POLQCCNCCDK8
SCHEMBL3882497 0.88 CACNA1H (0.43) CACNA1HNOTUMFFAR4NR3C1POLQ
SCHEMBL1013067 0.86 CCNC (0.44) CACNA1HNOTUMPOLQCCNCCDK8
SCHEMBL1016472 0.82 CCNC (0.45) CACNA1HNOTUMPOLQCCNCCDK8
SCHEMBL1012899 0.80 CCNC (0.44) NOTUMPOLQCCNCCDK8AR
SCHEMBL3688007 0.80 AR (0.47) NOTUMFFAR4CCNCCDK8AR
SCHEMBL3882096 0.79 FFAR4 (0.49) CACNA1HFFAR4NR3C1ARFFAR1
SCHEMBL1012795 0.79 CCNC (0.44) CACNA1HNOTUMPOLQCCNCCDK8
SCHEMBL1016963 0.78 CCNC (0.41) NOTUMPOLQCCNCCDK8AR
SCHEMBL1014398 0.78 CCNC (0.43) CACNA1HNOTUMFFAR4POLQCCNC

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 CACNA1H 1324/4885NOTUM 1047/4885FFAR4 79/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B CACNA1H 1324/4885NOTUM 1047/4885FFAR4 79/4885

“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.