SCHEMBL6156791

SCHEMBL6156791

[CH2]C=CCc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HRH3 Q9Y5N1 1/20 0.44
AHR P35869 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP2A6 P11509 1/20 0.42
AOC3 Q16853 2/20 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
SCHEMBL9114324 0.83 LOXL2 (0.51) LOXL2HRH3AHRHRH4NPC1
SCHEMBL4333117 0.82 LOXL2 (0.59) LOXL2HRH3AHRHRH4IDO1
SCHEMBL7549813 0.82 LOXL2 (0.59) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL5586763 0.82 LOXL2 (0.55) LOXL2HRH3AHRHRH4IDO1
SCHEMBL2185508 0.82 LOXL2 (0.55) LOXL2HRH3AHRHRH4IDO1
SCHEMBL31105584 0.81 LOXL2 (0.58) LOXL2HRH3AHRHRH4IDO1
SCHEMBL325463 0.81 LOXL2 (0.58) LOXL2HRH3AHRHRH4IDO1
SCHEMBL28876206 0.80 LOXL2 (0.56) LOXL2HRH3AHRHRH4IDO1
Ammonia Solution, Strong SCHEMBL28873731 0.80 LOXL2 (0.56) LOXL2HRH3AHRHRH4IDO1
SCHEMBL28876221 0.80 LOXL2 (0.56) LOXL2HRH3AHRHRH4IDO1

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 LOXL2 427/4885HRH3 2125/4885AHR 3071/4885

“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.