SCHEMBL413367

SCHEMBL413367

CCCCCCCCCCC1OCCO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
EPHX1 P07099 1/20 0.58
SPHK1 Q9NYA1 7/20 0.46
SPHK2 Q9NRA0 6/20 0.46
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCZ Q05513 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKD1 Q15139 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
ENPP2 Q13822 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL16995925 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL28757032 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL873108 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL2102930 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL1668988 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL10514828 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL136872 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL14779258 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL15560286 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL27821359 1.00 ALDH1A1 (0.62) ALDH1A1EPHX1SPHK1SPHK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203150-B1 PERSONAL CARE COMPOSITIONS COMPRISING UNDECYL SULFATES PROCTER & GAMBLE (US) 2016-06-01 EP disclosed
CN-102292313-B Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH 2015-02-18 CN disclosed
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8394996-B2 Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-03-12 US disclosed
US-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2012-01-26 US disclosed
CN-102292313-A Method for producing aldehyde functional compounds 2011-12-21 CN disclosed
EP-2382178-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS Evonik Degussa GmbH (DE) 2011-11-02 EP disclosed
WO-2010084053-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2010-07-29 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-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS FASN, ALDH2, ALOX12 ALDH1A1 11/4885EPHX1 301/4885SPHK1 607/4885

“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.