SCHEMBL6158142

SCHEMBL6158142

[CH2]C=CCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
CYP2A6 P11509 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL27533556 0.80 NAPRT (0.48) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL27533915 0.80 NAPRT (0.48) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL27982323 0.80 CHRNA7 (0.52) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL10843187 0.80 CHRNA7 (0.52) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL10421646 0.80 CHRNA7 (0.52) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL2050612 0.79
SCHEMBL28017048 0.78 NAPRT (0.47) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8754769 0.78 NAPRT (0.47) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL19593180 0.78 CHRNB2 (0.50) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL6225712 0.77 CYP1A2 (0.50) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4

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 CYP1A2 453/4885CYP2D6 807/4885CHRNA7 3249/4885

“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.