SCHEMBL6159258

SCHEMBL6159258

[CH2]CC=Cc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.61
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
NFE2L2 Q16236 4/20 0.57
CYP19A1 P11511 1/20 0.56
NQO2 P16083 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54

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
SCHEMBL8162413 1.00 RELA (0.61) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL30022662 0.87 NFE2L2 (0.68) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL14604959 0.84 RELA (0.62) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL2096151 0.83 RELA (0.57) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL2096153 0.83 RELA (0.57) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL23158820 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL31317665 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700056 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700055 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL16951008 0.82 TLR4 (0.45) RELACHRM2CHRM1CHRM3NFE2L2

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 RELA 1464/4885CHRM2 1550/4885CHRM1 1602/4885

“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.