SCHEMBL6157014

SCHEMBL6157014

[CH]=CCCc1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
IDO1 P14902 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
AOC3 Q16853 1/20 0.51
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ABCB1 P08183 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5A P35218 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 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
SCHEMBL8507656 0.82 TAAR1 (0.60) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL28858018 0.81 TAAR1 (0.75) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL8062343 0.81 TAAR1 (0.58) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL30136331 0.81 TAAR1 (0.58) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL910888 0.81 CHRM2 (0.58) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL27847833 0.80 IDO1 (0.52) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL9005273 0.79 TAAR1 (0.61) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL9005277 0.79 TAAR1 (0.61) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL13286297 0.78 TAAR1 (0.55) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL12971109 0.78 TAAR1 (0.55) TAAR1IDO1SIGMAR1AOC3CHRM2

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 TAAR1 1755/4885IDO1 4255/4885SIGMAR1 1748/4885

“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.