SCHEMBL6156912

SCHEMBL6156912

[CH2]C=CCc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP3A4 P08684 3/20 0.58
MAPT P10636 3/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR2A P28223 5/20 0.56
HTR2C P28335 4/20 0.56
HTR6 P50406 4/20 0.56
CYP2D6 P10635 3/20 0.56
HTR1D P28221 3/20 0.56
HTR1B P28222 2/20 0.56
HTR7 P34969 2/20 0.56
MPO P05164 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
NFKB1 P19838 1/20 0.56
CTSK P43235 1/20 0.56
CYP2A13 Q16696 1/20 0.56

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
SCHEMBL6803427 1.00 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL9114333 0.83 HTR2A (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL9060407 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL17732259 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11374725 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL6159296 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL8742359 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL17732258 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL547396 0.81 ALDH1A1 (0.65) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL10382799 0.81 MEN1 (0.67) MEN1KMT2ACYP3A4MAPTAHR

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 MEN1 4327/4885KMT2A 2968/4885CYP3A4 698/4885

“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.