SCHEMBL166990

SCHEMBL166990

CCCC(=O)OC(=O)C(O)C(O)C(=O)OC(=O)CCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 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
SCHEMBL23069532 0.92 ALDH1A1 (0.54) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL27814845 0.86 MAPT (0.48) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL183594 0.84 ALDH1A1 (0.61) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL27537619 0.83 MAPT (0.59) ALDH1A1MAPTLMNAKDM4EDUSP3
SCHEMBL4933827 0.83 MAPT (0.59) ALDH1A1MAPTLMNAKDM4EDUSP3
SCHEMBL65558 0.83 MAPT (0.59) ALDH1A1MAPTLMNAKDM4EDUSP3
SCHEMBL1488916 0.83 MAPT (0.59) ALDH1A1MAPTLMNAKDM4EDUSP3
SCHEMBL165589 0.82 NAAA (0.39) ALDH1A1MAPTLMNAFFAR3NAAA
SCHEMBL2555978 0.82 ALDH1A1 (0.58) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL29090828 0.82 ALDH1A1 (0.58) ALDH1A1MAPTCES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US disclosed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US disclosed
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
EP-1311265-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT INC (US) 2004-12-29 EP disclosed
US-6743812-B1 2,3-DIACYLTARTARIC ACID SALTS OF E-METANICOTINE; NERVOUS SYSTEM DISORDERS; AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES TARGACEPT, INC. 2004-06-01 US disclosed
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
US-6432954-B1 CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-13 US disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
US-5326782-A Salts derived from 26-(dialkylaminoalkylsulphonyl)pristinamycin IIB RHONE-POULENC RORER S.A. (FR) 1994-07-05 US disclosed
CN-1017527-B Process for preparing optically active oxoisoindolinyl derivatives ERBA FARMITALIA (IT) 1992-07-22 CN disclosed
WO-1992001694-A1 NEW SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II¿B? RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed
CN-88101200-A The preparation method of the oxo-isoindolinyl derivatives of optically-active 1988-10-26 CN 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-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS HRH3, HRH4, HRH1 ALDH1A1 1573/4885MAPT 1441/4885CES2 961/4885

“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.