SCHEMBL6159698

SCHEMBL6159698

[CH2]/C=C(/CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP19A1 P11511 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL6159704 1.00 ATM (0.45) ATMCES2CES1MAPTSMN1; SMN2
SCHEMBL6027480 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL515423 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL515424 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL4822579 0.79 PTGS2 (0.52) CES2CES1ESR1
SCHEMBL1173626 0.79 HDAC1 (0.41) CES2CES1MAPTSMN1; SMN2HDAC1
SCHEMBL498532 0.79 ATM (0.52) ATMCES2CES1ESR1ESR2
SCHEMBL4236339 0.78 CES2 (0.51) CES2CES1ESR1
SCHEMBL2806416 0.77 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL16787362 0.77 ATM (0.45) ATMCES2CES1ESR1ESR2

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 ATM 1782/4885CES2 19/4885CES1 16/4885

“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.