SCHEMBL4444400

SCHEMBL4444400

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
LMNA P02545 3/20 0.58
EPHX2 P34913 1/20 0.56
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
OXER1 Q8TDS5 3/20 0.51
ALOX5 P09917 2/20 0.51
F7 P08709 5/20 0.46
F3 P13726 5/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
FFAR1 O14842 2/20 0.46
CYP19A1 P11511 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL4444402 1.00 ALDH1A1 (0.58) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL9003288 1.00 ALDH1A1 (0.58) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL14241681 0.98 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL15634237 0.98 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL14166705 0.98 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL9975540 0.91 NR1I2 (0.53) ALDH1A1EPHX2TSHRCYP3A4ALOX15
SCHEMBL17709725 0.91 ALDH1A1 (0.63) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL17709720 0.91 ALDH1A1 (0.63) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL17709726 0.91 ALDH1A1 (0.63) ALDH1A1LMNAEPHX2TSHRCYP3A4
SCHEMBL17709719 0.91 ALDH1A1 (0.63) ALDH1A1LMNAEPHX2TSHRCYP3A4

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 5 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
US-20090264672-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2009-10-22 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-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.