SCHEMBL4857243

SCHEMBL4857243

CC(=CCO)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
UGT1A1 P22309 1/20 0.32
MGLL Q99685 1/20 0.31
PTPN1 P18031 1/20 0.31
CTSK P43235 1/20 0.31
TP53 P04637 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL4857234 1.00 CES2 (0.35) CES2CES1MEN1CYP3A4ALOX15
SCHEMBL4857238 1.00 CES2 (0.35) CES2CES1MEN1CYP3A4ALOX15
SCHEMBL11858127 0.81 CES2 (0.35) CES2CES1ALDH1A1MGLLCTSK
SCHEMBL11858131 0.81 CES2 (0.35) CES2CES1ALDH1A1MGLLCTSK
SCHEMBL11506161 0.79 ALDH1A1 (0.39) CES2CES1ALDH1A1MGLL
SCHEMBL11506163 0.79 ALDH1A1 (0.39) CES2CES1ALDH1A1MGLL
SCHEMBL31538843 0.77 EPHX1 (0.35) CES2CES1
SCHEMBL26089586 0.76
SCHEMBL4866423 0.74 CES2 (0.33) CES2CES1ALDH1A1MGLL
SCHEMBL4866439 0.74 CES2 (0.33) CES2CES1ALDH1A1MGLL

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
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 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-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 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 (3 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A CES2 296/4885CES1 574/4885MEN1 3945/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 CES2 848/4885CES1 235/4885MEN1 4083/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A CES2 296/4885CES1 574/4885MEN1 3945/4885

“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.