SCHEMBL6158729

SCHEMBL6158729

[CH2]CC=Cc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
FBP1 P09467 1/20 0.49
CHAT P28329 1/20 0.49
CHRM5 P08912 1/20 0.48
RELA Q04206 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.44
NFE2L2 Q16236 3/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
AKR1C3 P42330 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL1046009 0.85 CYP1A2 (0.49) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL1046008 0.85 CYP1A2 (0.49) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2772413 0.82 CYP1A2 (0.53) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2772409 0.82 CYP1A2 (0.53) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2097935 0.80 RELA (0.45) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2097937 0.80 RELA (0.45) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL699364 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL699365 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL24737367 0.80 CYP1A2 (0.56) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL9131505 0.80 CHAT (0.53) CYP1A2CYP2C9FBP1CHATCHRM5

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 453/4885CYP2C9 1370/4885FBP1 1242/4885

“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.