SCHEMBL787995

SCHEMBL787995

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 2/20 0.48
USP2 O75604 1/20 0.46
NAAA Q02083 1/20 0.46
DGKA P23743 1/20 0.46
SPHK1 Q9NYA1 1/20 0.45
EPHX1 P07099 1/20 0.43
LPAR5 Q9H1C0 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL15096711 1.00 HTT (0.52) HTTMAPTMEN1THRBKMT2A
SCHEMBL18047368 1.00 HTT (0.52) HTTMAPTMEN1THRBKMT2A
SCHEMBL15096709 1.00 HTT (0.52) HTTMAPTMEN1THRBKMT2A
SCHEMBL15096710 1.00 HTT (0.52) HTTMAPTMEN1THRBKMT2A
SCHEMBL6440032 0.92 TSHR (0.45) HTTMAPTMEN1THRBKMT2A
SCHEMBL28571108 0.92 TSHR (0.45) HTTMAPTMEN1THRBKMT2A
SCHEMBL13541385 0.92 TSHR (0.45) HTTMAPTMEN1THRBKMT2A
SCHEMBL17461292 0.88 NAAA (0.57) MAPTNAAAEPHX1TSHR
SCHEMBL9271282 0.88 NAAA (0.57) MAPTNAAAEPHX1TSHR
SCHEMBL1276448 0.88 NAAA (0.57) MAPTNAAAEPHX1TSHR

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-9643912-B2 Fatty alcohol esters of hydroxycarboxylic acids CHEMSMART, LLC (US) 2017-05-09 US disclosed
US-9315446-B2 Fatty alcohol esters of hydroxycarboxylic acids CHEMSMART, LLC (US) 2016-04-19 US disclosed
US-20160060206-A1 FATTY ALCOHOL ESTERS OF HYDROXYCARBOXYLIC ACIDS CHEMIC LABORATORIES, LLC 2016-03-03 US disclosed
US-20130178646-A1 NOVEL COMPOSITIONS AND METHODS CHEMSMART, LLC (US) 2013-07-11 US disclosed
WO-2012037475-A1 NOVEL COMPOSITIONS AND METHODS CHEMSMART, LLC (US) 2012-03-22 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-20130178646-A1 NOVEL COMPOSITIONS AND METHODS CYP27A1, CYP11B1, CYP11B2 HTT 1453/4885MAPT 2046/4885MEN1 1344/4885
US-20160060206-A1 FATTY ALCOHOL ESTERS OF HYDROXYCARBOXYLIC ACIDS ADH1A, ADH1C, ELOVL1 HTT 1606/4885MAPT 2708/4885MEN1 4109/4885

“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.