SCHEMBL6161546

SCHEMBL6161546

[CH]=CCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.47
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
DAO P14920 2/20 0.40
PKM P14618 1/20 0.39
PYCR1 P32322 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL11783651 0.86 TAAR1 (0.48) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL30444061 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL248652 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1338205 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL2371650 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL6740216 0.78 TAAR1 (0.71) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL27462913 0.77 IDO1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL27480538 0.75 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL9427683 0.75 TAAR1 (0.61) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1611530 0.74 TAAR1 (0.54) TAAR1DAOCHRM2

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 4255/4885PNMT 1599/4885

“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.