SCHEMBL6158441

SCHEMBL6158441

[CH2]C=CCc1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
TAAR1 Q96RJ0 3/20 0.51
CHRM2 P08172 4/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
CMA1 P23946 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
MAOB P27338 2/20 0.46
LPO P22079 1/20 0.45

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
SCHEMBL28224567 0.82 IDO1 (0.56) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL28743543 0.82 IDO1 (0.56) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL28084246 0.82 IDO1 (0.56) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL29624521 0.82 IDO1 (0.56) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL27610564 0.82 IDO1 (0.56) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL29382328 0.81 ALDH1A1 (0.60) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL2091147 0.81 ALDH1A1 (0.60) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL6201718 0.81 PPARA (0.37) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL8305017 0.81 TAAR1 (0.58) IDO1AGXTTAAR1CHRM2CHRM1
SCHEMBL12335546 0.80 IDO1 (0.50) IDO1AGXTTAAR1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA IDO1 4255/4885AGXT 88/4885TAAR1 1755/4885

“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.