SCHEMBL8998752

SCHEMBL8998752

CC(C)=C(C)CC/C(C)=C/CO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UGT1A1 P22309 1/20 0.50
PTPN1 P18031 1/20 0.41
SQLE Q14534 5/20 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
SCHEMBL8998758 1.00 KMT2A (0.52) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11855335 0.91 KMT2A (0.65) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11855332 0.91 KMT2A (0.65) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL10048642 0.86 KMT2A (0.65) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11705884 0.77 KMT2A (0.32) KMT2AMEN1CYP3A4ALOX15
SCHEMBL11705878 0.77 KMT2A (0.32) KMT2AMEN1CYP3A4ALOX15
SCHEMBL17728711 0.75
SCHEMBL5137183 0.75
SCHEMBL5137182 0.75
SCHEMBL28172282 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2747886-B1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2018-11-14 EP disclosed
EP-2970067-B1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2017-08-16 EP disclosed
US-9714263-B2 Selective hydrogenation of aldehydes with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2017-07-25 US disclosed
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2016-02-11 US disclosed
US-9090534-B2 Selective hydrogenation of aldehyde with ru/bidentate ligands complexes FIREMENICH SA (CH) 2015-07-28 US disclosed
US-20140243526-A1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2014-08-28 US disclosed
EP-0258967-B2 Process for producing optically active alcohols TAKASAGO PERFUMERY CO LTD (JP) 1996-08-21 EP disclosed
US-4962242-A HYDROGENATING OLEFINIC ALCOHOL USING AS CATALYST A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX TAKASAGO PERFUMERY CO., LTD. (JP) 1990-10-09 US disclosed
EP-0258967-A2 Process for producing optically active alcohols Takasago Perfumery Co., Ltd. (JP) 1988-03-09 EP disclosed
US-3953524-A Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols HOFFMANN-LA ROCHE INC. (US) 1976-04-27 US 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-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C KMT2A 3791/4885MEN1 3642/4885CYP3A4 307/4885
US-20140243526-A1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, HAO2 KMT2A 2663/4885MEN1 3990/4885CYP3A4 480/4885

“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.