SCHEMBL165589

SCHEMBL165589

CCC(=O)OC(=O)C(O)C(O)C(=O)OC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SOAT1 P35610 1/20 0.38
HTT P42858 1/20 0.37
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 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
SCHEMBL27605067 0.91 TSHR (0.46) NAAAALDH1A1MGAMGAASI
Potassium Ion SCHEMBL29140513 0.87 MEN1 (0.33) NAAAMGAMGAASIMGAM2
SCHEMBL166990 0.82 ALDH1A1 (0.64) NAAAALDH1A1MGAMGAASI
SCHEMBL288874 0.81 NAAA (0.38) NAAAALDH1A1MGAMGAASI
SCHEMBL27814845 0.79 MAPT (0.48) NAAAALDH1A1TDP1LMNAMAPT
SCHEMBL4603931 0.79 PDE4A (0.50) NAAATDP1LMNA
SCHEMBL386957 0.78 NAAA (0.39) NAAAALDH1A1MGAMGAASI
SCHEMBL11715098 0.77 OR51E2 (0.40) NAAAALDH1A1MGAMGAASI
SCHEMBL28298194 0.77 MGAM (0.50) ALDH1A1MGAMGAASIMGAM2
SCHEMBL28778976 0.76 NAAA (0.38) NAAAALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497315-C Preparation of (R)-(-)-apomorphine UNIV EAST CHINA SCIENCE & TECH (CN) 2009-06-10 CN claimed
CN-1680330-A Preparation of (R)-(-)-apomorphine HUADONG SCIENCE & ENGINEERING (CN) 2005-10-12 CN claimed
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
CN-100497315-C Preparation of (R)-(-)-apomorphine UNIV EAST CHINA SCIENCE & TECH (CN) 2009-06-10 CN disclosed
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN disclosed
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN disclosed
CN-1680330-A Preparation of (R)-(-)-apomorphine HUADONG SCIENCE & ENGINEERING (CN) 2005-10-12 CN disclosed
WO-1995005154-A1 CLEANSING COMPOSITION UNILEVER PLC (GB) 1995-02-23 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 (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 NAAA 659/4885ALDH1A1 1573/4885MGAM 4554/4885

“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.