SCHEMBL1013824

SCHEMBL1013824

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OCc2cccc(F)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
ALDH1A2 O94788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH1A3 P47895 1/20 0.40
AR P10275 4/20 0.39
NOTUM Q6P988 1/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
FFAR1 O14842 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
POLQ O75417 1/20 0.37
MAPK14 Q16539 1/20 0.36
TRPA1 O75762 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
SCHEMBL1014070 0.91 CACNA1H (0.41) TGFBR1ARNOTUMCCNCCDK8
SCHEMBL1013067 0.84 CCNC (0.44) ARNOTUMCCNCCDK8POLQ
SCHEMBL1016472 0.80 CCNC (0.45) ARNOTUMCCNCCDK8POLQ
SCHEMBL3881559 0.79 TP53 (0.50) ARFFAR1
SCHEMBL3882497 0.79 CACNA1H (0.43) ARNOTUMCCNCCDK8FFAR1
SCHEMBL1012899 0.78 CCNC (0.44) ARNOTUMCCNCCDK8POLQ
SCHEMBL3688007 0.78 AR (0.47) ARNOTUMCCNCCDK8FFAR1
SCHEMBL1016963 0.77 CCNC (0.41) ARNOTUMCCNCCDK8POLQ
SCHEMBL1012795 0.77 CCNC (0.44) ARNOTUMCCNCCDK8POLQ
SCHEMBL1014398 0.76 CCNC (0.43) ARNOTUMCCNCCDK8FFAR1

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 TGFBR1 2146/4885ALDH1A2 1284/4885ALDH1A1 839/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B TGFBR1 2146/4885ALDH1A2 1284/4885ALDH1A1 839/4885

“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.