SCHEMBL6158701

SCHEMBL6158701

[CH]=CCCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
PNMT P11086 2/20 0.50
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
AOC3 Q16853 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
C3AR1 Q16581 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DAO P14920 1/20 0.42

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
SCHEMBL11514397 0.89 TAAR1 (0.53) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL12050856 0.80 TAAR1 (0.74) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL3079975 0.80 TAAR1 (0.57) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL67484 0.80 TAAR1 (0.57) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL9131495 0.80 TAAR1 (0.57) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL7481246 0.79 PNMT (0.59) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL27427316 0.77 TAAR1 (0.53) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL5241228 0.76 TAAR1 (0.68) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL1610976 0.76 TAAR1 (0.57) TAAR1IDO1DAO
SCHEMBL21504040 0.76 TAAR1 (0.52) TAAR1PNMTHTR3EHTR3BHTR3A

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 1755/4885PNMT 1599/4885HTR3E 3300/4885

“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.