SCHEMBL3590075

SCHEMBL3590075

Cc1nc(-c2cccc(O)c2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
HSD17B2 P37059 10/20 0.46
HSD17B1 P14061 9/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GUSB P08236 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PDE4B Q07343 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
SCHEMBL1984905 0.81 VDR (0.46) HDAC6HSD17B2HSD17B1MEN1MAPT
SCHEMBL5539637 0.79 MAOB (0.50) MAPTRAB9AKMT2AGUSBGAA
SCHEMBL5536101 0.79 NPC1 (0.53) MAPTRAB9ACYP1A2MAOB
SCHEMBL9862893 0.78 NPC1 (0.51) HDAC6MAPTRAB9AKMT2AGAA
SCHEMBL4418435 0.78 BRD4 (0.57) MEN1MAPTKMT2AGAA
SCHEMBL436384 0.77 GAA (0.57) RAB9AGAA
SCHEMBL1805431 0.76 KDR (0.43) GAA
SCHEMBL11524334 0.76 GAA (0.46) MEN1RAB9AKMT2AGAAESR1
SCHEMBL9863203 0.76 SNCA (0.46) HSD17B2HSD17B1MEN1MAPTRAB9A
SCHEMBL14266194 0.74 RAB9A (0.51) HDAC6HSD17B2HSD17B1MEN1MAPT

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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
EP-1776111-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-04-25 EP disclosed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US disclosed
WO-2006020916-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-02-23 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA HDAC6 1275/4885HSD17B2 251/4885HSD17B1 247/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA HDAC6 1275/4885HSD17B2 251/4885HSD17B1 247/4885

“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.