SCHEMBL12848932

SCHEMBL12848932

COc1cc(-c2cn3cccc(OCc4ccccc4)c3n2)ccc1OCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
HRH3 Q9Y5N1 2/20 0.53
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
KDM4E B2RXH2 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 6/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 7/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 5/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 2/20 0.44

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
SCHEMBL15374937 0.94 PPARG (0.59) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848794 0.92 PPARG (0.57) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848931 0.90 PPARG (0.61) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848887 0.89 PPARG (0.48) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12797506 0.89 HRH3 (0.54) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848790 0.88 PPARG (0.54) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848929 0.86 HRH3 (0.65) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848792 0.85 PPARG (0.62) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL15374921 0.85 HRH3 (0.52) PPARGHRH3NPC1RAB9AKDM4E
SCHEMBL12848498 0.85 RAB9A (0.68) HRH3NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 US disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 US disclosed
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-03-17 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-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES LPL, LIPC, LIPE PPARG 22/4885HRH3 2016/4885NPC1 366/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE PPARG 25/4885HRH3 1936/4885NPC1 334/4885

“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.