SCHEMBL1264046

SCHEMBL1264046

CC(C)(C)C(=O)c1cc(C(C)(C)c2ccccc2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
MAPT P10636 1/20 0.34
MAPK13 O15264 1/20 0.33

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
SCHEMBL1263210 0.90 NPC1 (0.42) NPC1RAB9APOLBLMNAPPARG
SCHEMBL1264010 0.88 NPC1 (0.45) NPC1RAB9APOLBLMNAPPARG
SCHEMBL1263991 0.88 NPC1 (0.40) NPC1RAB9APOLBLMNAPPARG
SCHEMBL1263216 0.87 NPC1 (0.40) NPC1RAB9APOLBLMNAPPARG
SCHEMBL1264285 0.83 NPC1 (0.58) NPC1RAB9APOLBLMNAPPARG
SCHEMBL12646358 0.83 NPC1 (0.40) NPC1RAB9APOLBLMNAPPARG
SCHEMBL7701678 0.83 NPC1 (0.47) NPC1RAB9APOLBLMNAPPARG
SCHEMBL8861285 0.83 NPC1 (0.50) NPC1RAB9APOLBLMNAPPARG
SCHEMBL1263992 0.82 NPC1 (0.36) NPC1RAB9APOLBLMNAPPARG
SCHEMBL29903 0.82 NPC1 (0.46) NPC1RAB9APOLBLMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole CHANG CHIA-HU 2011-02-17 US claimed
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-04-08 US claimed
US-8163934-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU (US) 2012-04-24 US disclosed
EP-2332013-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE Chang, Chia-Hu (US) 2011-06-15 EP disclosed
US-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole CHANG CHIA-HU 2011-02-17 US disclosed
US-7847103-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-12-07 US disclosed
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-04-08 US disclosed
WO-2010039229-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE CHANG CHIA-HU (US) 2010-04-08 WO 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-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole HCRTR2, HCRTR1, POLL NPC1 2019/4885RAB9A 4833/4885POLB 1185/4885
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole HCRTR2, HCRTR1, PAH NPC1 1975/4885RAB9A 4829/4885POLB 1169/4885

“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.