SCHEMBL12433231

SCHEMBL12433231

COc1ccc(/C(=C(/C#N)C(=O)OCC(C)(C)CO)c2ccc3ccccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
DRD4 P21917 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL12510836 0.93 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11983618 0.91 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAMAPK1
SCHEMBL24704161 0.85 NPC1 (0.47) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL3623365 0.83 ALDH1A1 (0.52) RAB9AKMT2AALDH1A1LMNAMAPK1
SCHEMBL13135427 0.82 NPC1 (0.35) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL12433229 0.82 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL1175407 0.82 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL11983346 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1LMNAMAPK1
SCHEMBL12758738 0.81 LMNA (0.47) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL13925367 0.80 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAMAPK1

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.