SCHEMBL4309608

SCHEMBL4309608

COC(=O)CCCCCCC/C=C/CCOC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
EPHX2 P34913 2/20 0.52
CNR2 P34972 2/20 0.46
TSHR P16473 3/20 0.44
ALOX5 P09917 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OXER1 Q8TDS5 1/20 0.42
RECQL P46063 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4309611 1.00 ALDH1A1 (0.53) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL6055455 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL1524543 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL1524542 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL15757659 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL24080350 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL13273157 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL810916 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL15757660 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL6569696 0.84 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906861-B2 Methods of making organic compounds by metathesis WILMAR TRADING PTE LTD (SG) 2021-02-02 US disclosed
EP-3281931-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS Elevance Renewable Sciences, Inc. (US) 2018-02-14 EP disclosed
US-20150307438-A1 Methods of Making Organic Compounds by Metathesis ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-10-29 US disclosed
US-9120742-B2 Methods of making organic compounds by metathesis ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-09-01 US disclosed
EP-2121546-A2 METHODS OF MAKING ALPHA, OMEGA-DICARBOXYLIC ACID ALKENE DERIVATIVES BY METATHESIS Elevance Renewable Sciences, Inc. (US) 2009-11-25 EP disclosed
US-20090264672-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2009-10-22 US disclosed
WO-2008140468-A2 METHODS OF MAKING α, ω -DICARBOXYLIC ACID ALKENE DERIVATIVES BY METATHESIS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2008-11-20 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 (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-20090264672-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS COASY, FASN, HAO2 ALDH1A1 97/4885LMNA 1404/4885EPHX2 148/4885
US-10906861-B2 Methods of making organic compounds by metathesis COASY, FASN, HAO2 ALDH1A1 97/4885LMNA 1404/4885EPHX2 148/4885
US-20150307438-A1 Methods of Making Organic Compounds by Metathesis COASY, FASN, HAO2 ALDH1A1 97/4885LMNA 1404/4885EPHX2 148/4885

“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.