SCHEMBL6157427

SCHEMBL6157427

[CH2]C(C=C)c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
AOC3 Q16853 2/20 0.44
ALOX5 P09917 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
FLT3 P36888 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
DAO P14920 2/20 0.39
HPGD P15428 2/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
DDO Q99489 1/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL14532292 0.81 ALOX5 (0.48) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL6543889 0.81 ALOX5 (0.44) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL30063329 0.81 ALOX5 (0.44) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL4333115 0.81 AOC3 (0.46) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL4382025 0.81 CYP2A6 (0.42) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL1706542 0.78 ALOX5 (0.51) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL5049788 0.78 AOC3 (0.50) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL10936048 0.78 ALOX5 (0.44) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL4760638 0.78 ALOX5 (0.41) CYP2A6AOC3ALOX5NPC1RAB9A
SCHEMBL8598079 0.77 AOC3 (0.52) CYP2A6AOC3ALOX5NPC1RAB9A

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 296/4885AOC3 676/4885ALOX5 223/4885

“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.