SCHEMBL13670835

SCHEMBL13670835

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL17637064 0.86 FAAH (0.47) ALOX15ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL1906628 0.83 ALDH1A1 (0.50) ALOX15ALDH1A1GAATSHRCHRM5
SCHEMBL1906626 0.83 ALDH1A1 (0.50) ALOX15ALDH1A1GAATSHRCHRM5
SCHEMBL17207268 0.82 ALOX15 (0.43) ALOX15ALDH1A1GAATSHRCHRM5
SCHEMBL11335823 0.81 TSHR (0.46) ALOX15ALDH1A1GAAMGAMSI
SCHEMBL2834472 0.79 ALDH1A1 (0.54) ALOX15ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4306967 0.79 ALDH1A1 (0.54) ALOX15ALDH1A1TSHRHSD17B10LMNA
SCHEMBL7815372 0.79 TDP1 (0.41) ALOX15ALDH1A1GAATSHRCHRM5
SCHEMBL869082 0.78 TSHR (0.53) ALOX15ALDH1A1GAAMGAMSI
SCHEMBL869080 0.78 TSHR (0.53) ALOX15ALDH1A1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090264672-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS COASY, FASN, HAO2 ALOX15 91/4885ALDH1A1 97/4885GAA 3081/4885

“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.