SCHEMBL1176115

SCHEMBL1176115

COc1ccc(C(=C(C#N)C(=O)O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2A6 P11509 1/20 0.44
AKR1C3 P42330 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL16443996 0.90 CES2 (0.57) NPC1RAB9AKDM4ECES2CES1
SCHEMBL16443995 0.90 CES2 (0.57) NPC1RAB9AKDM4ECES2CES1
SCHEMBL15805572 0.90 CES2 (0.57) NPC1RAB9AKDM4ECES2CES1
SCHEMBL28895521 0.89 CES2 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12433229 0.88 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL1175407 0.88 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL24704161 0.84 NPC1 (0.47) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL17212284 0.80 CES2 (0.56) NPC1RAB9AKDM4ECES2CES1
SCHEMBL12311740 0.79 CES2 (0.54) NPC1RAB9AKMT2AKDM4ECES2
SCHEMBL2002642 0.79 CES2 (0.54) NPC1RAB9AKMT2AKDM4ECES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981402-B2 Alkyl benzene sulfonyl urea photostabilizers and UV-absorbers HALLSTAR INNOVATIONS CORP. (US) 2011-07-19 US disclosed
US-20110033396-A1 NOVEL PHOTOSTABILIZERS, UV ABSORBERS, AND METHODS OF PHOTOSTABILIZING COMPOSITIONS HALLSTAR ONNOVATIONS CORP. (US) 2011-02-10 US disclosed
US-7799317-B2 Photostabilizers, UV absorbers, and methods of photostabilizing compositions HALLSTAR INNOVATIONS CORP. (US) 2010-09-21 US disclosed
US-20060257338-A1 Novel photostabilizers, UV absorbers, and methods, of photostabilizing compositions CPH INNOVATIONS CORP. (US) 2006-11-16 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-20110033396-A1 NOVEL PHOTOSTABILIZERS, UV ABSORBERS, AND METHODS OF PHOTOSTABILIZING COMPOSITIONS ERCC1, ERCC4, TTPA NPC1 2554/4885RAB9A 3457/4885CASP3 2540/4885
US-20060257338-A1 Novel photostabilizers, UV absorbers, and methods, of photostabilizing compositions TTPA, ERCC1, ERCC4 NPC1 2342/4885RAB9A 3399/4885CASP3 2959/4885

“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.