SCHEMBL951792

SCHEMBL951792

C=C(CCO)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.32
HSD11B1 P28845 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL11645662 0.97 CES2 (0.32) CES2CES1ALDH1A1TSHR
SCHEMBL3605682 0.79 CES2 (0.39) CES2CES1ALDH1A1TSHRMGLL
SCHEMBL4488617 0.78 NAAA (0.36) CES2CES1ALDH1A1MGLLHSD11B1
SCHEMBL30835536 0.76 HPGD (0.42) CES2CES1ALDH1A1HSD11B1EPHX1
SCHEMBL30835525 0.75 NAAA (0.42) EPHX1
SCHEMBL23891570 0.73 ALDH1A1 (0.33) CES2CES1ALDH1A1TSHREPHX1
SCHEMBL8518649 0.73 MGLL (0.32) CES2CES1MGLL
SCHEMBL30835526 0.73 NAAA (0.44) EPHX1
SCHEMBL11211286 0.72 CES2 (0.38) CES2CES1ALDH1A1TSHRMGLL
SCHEMBL1088091 0.72 CES2 (0.50) CES2CES1ALDH1A1TSHRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340502-A1 PURIFICATION OF AN ETHYLENICALLY UNSATURATED ALCOHOL STREAM, PREPARATION OF AN ETHYLENICALLY UNSATURATED ALDEHYDE, IN PARTICULAR PRENAL, AND COMPOUNDS DERIVED THEREFROM BASF SE (DE) 2025-11-06 US disclosed
EP-4526283-A1 PURIFICATION OF AN ETHYLENICALLY UNSATURATED ALCOHOL STREAM, PREPARATION OF AN ETHYLENICALLY UNSATURATED ALDEHYDE, IN PARTICULAR PRENAL, AND COM- POUNDS DERIVED THEREFROM BASF SE (DE) 2025-03-26 EP disclosed
CN-119278192-A Purification of ethylenically unsaturated alcohol streams, preparation of ethylenically unsaturated aldehydes, in particular pentenals, and compounds derived therefrom 巴斯夫欧洲公司 2025-01-07 CN disclosed
WO-2023222895-A1 PURIFICATION OF AN ETHYLENICALLY UNSATURATED ALCOHOL STREAM, PREPARATION OF AN ETHYLENICALLY UNSATURATED ALDEHYDE, IN PARTICULAR PRENAL, AND COM- POUNDS DERIVED THEREFROM BASF SE (DE) 2023-11-23 WO disclosed
EP-2257514-B1 METHOD FOR PRODUCING OLEFINICALLY SATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS BASF SE (DE) 2015-10-28 EP disclosed
US-8410315-B2 Method for producing olefinically unsaturated carbonyl compounds by oxidative dehydrogenation of alcohols BASF SE (DE) 2013-04-02 US disclosed
US-20110004025-A1 METHOD FOR PRODUCING OLEFINICALLY UNSATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS BASF SE (DE) 2011-01-06 US disclosed
EP-2257514-A1 METHOD FOR PRODUCING OLEFINICALLY SATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS BASF SE (DE) 2010-12-08 EP disclosed
WO-2009106621-A1 METHOD FOR PRODUCING OLEFINICALLY SATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS BASF SE (DE) 2009-09-03 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-20250340502-A1 PURIFICATION OF AN ETHYLENICALLY UNSATURATED ALCOHOL STREAM, PREPARATION OF AN ETHYLENICALLY UNSATURATED ALDEHYDE, IN PARTICULAR PRENAL, AND COMPOUNDS DERIVED THEREFROM ELOVL6, ADH1A, ADH1C CES2 1108/4885CES1 753/4885ALDH1A1 60/4885
US-20110004025-A1 METHOD FOR PRODUCING OLEFINICALLY UNSATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS ADH1A, ADH1C, ADH5 CES2 585/4885CES1 856/4885ALDH1A1 19/4885

“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.