SCHEMBL12433229

SCHEMBL12433229

COC(=O)/C(C#N)=C(\c1ccc(OC)cc1)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
CASP3 P42574 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PLAU P00749 1/20 0.42
DRD4 P21917 1/20 0.42
POLB P06746 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL1175407 1.00 NPC1 (0.54) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL2002642 0.89 CES2 (0.54) NPC1RAB9AKMT2AKDM4ECES2
SCHEMBL12311740 0.89 CES2 (0.54) NPC1RAB9AKMT2AKDM4ECES2
SCHEMBL1176115 0.88 NPC1 (0.52) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL24704161 0.88 NPC1 (0.47) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL12433231 0.82 NPC1 (0.42) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL29115778 0.81 SYK (0.41) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL548361 0.80 ALDH1A1 (0.52) NPC1RAB9AKMT2ACES2CES1
SCHEMBL10062049 0.78 HPGD (0.48) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL15805572 0.77 CES2 (0.57) NPC1RAB9AKDM4ECES2CES1

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 6 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-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-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-7799317-B2 Photostabilizers, UV absorbers, and methods of photostabilizing compositions HALLSTAR INNOVATIONS CORP. (US) 2010-09-21 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-20110033396-A1 NOVEL PHOTOSTABILIZERS, UV ABSORBERS, AND METHODS OF PHOTOSTABILIZING COMPOSITIONS ERCC1, ERCC4, TTPA NPC1 2554/4885RAB9A 3457/4885CASP3 2540/4885

“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.