SCHEMBL1013527

SCHEMBL1013527

Cn1ncc2cc(-c3cc(CCC(=O)O)c(O)cc3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.40
TRPA1 O75762 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
NOTUM Q6P988 1/20 0.35
FAAH O00519 1/20 0.35
PRMT5 O14744 1/20 0.35
USP7 Q93009 1/20 0.35
PDE1C Q14123 1/20 0.35

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
SCHEMBL1013154 0.93 CCNC (0.41) ARTRPA1CCNCCDK8CREBBP
SCHEMBL3884516 0.87 FFAR4 (0.43) ARTRPA1CCNCCDK8CREBBP
SCHEMBL3881638 0.86 AR (0.42) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1016963 0.84 CCNC (0.41) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1013447 0.84 CCNC (0.41) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1014249 0.84 CCNC (0.41) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1012900 0.83 CCNC (0.44) ARTRPA1LTB4RLTB4R2CCNC
SCHEMBL3887872 0.82 AR (0.41) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1017262 0.81 KDM1A (0.40) ARTRPA1CCNCCDK8CREBBP
SCHEMBL1012842 0.81 CCNC (0.39) ARTRPA1CCNCCDK8CREBBP

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 AR 4054/4885TRPA1 331/4885LTB4R 35/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885TRPA1 331/4885LTB4R 35/4885

“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.