SCHEMBL701847

SCHEMBL701847

COCc1c(C(=O)O)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MCL1 Q07820 4/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
NPY1R P25929 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL447564 0.83 NPY1R (0.68) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL2773751 0.82 MCL1 (0.58) MEN1KMT2AKDM4EMAPTMCL1
SCHEMBL27556248 0.80 MCL1 (0.60) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9393930 0.79 PLK1 (0.64) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL1443853 0.79 MCL1 (0.58) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL28096506 0.79 KMT2A (0.59) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL444899 0.79 MCL1 (0.49) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL30100829 0.78 MAPT (0.61) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL446243 0.78 MCL1 (0.55) MEN1KMT2AHTTMAPTMCL1
Hydrochloric Acid SCHEMBL6417890 0.77 MCL1 (0.53) MEN1KMT2AHTTMAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MEN1 3609/4885KMT2A 1436/4885ALDH1A1 586/4885
US-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 MEN1 4775/4885KMT2A 1410/4885ALDH1A1 3952/4885

“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.