SCHEMBL6157432

SCHEMBL6157432

[CH2]CC=Cc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
MAPT P10636 2/20 0.53
IDO1 P14902 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ATP6V1B1 P15313 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
AMY1A P0DUB6 1/20 0.43
LOXL2 Q9Y4K0 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
SCHEMBL2458423 0.82 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL2458425 0.82 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL10105480 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL30721683 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL6364565 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL6364563 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL3435673 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL9471072 0.81 CYP2A6 (0.62) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL15359580 0.79 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL287209 0.77 CYP2A6 (0.49) CYP2A6MAPTIDO1NPSR1CYP1A2

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 CYP2A6 296/4885MAPT 4496/4885IDO1 4255/4885

“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.