SCHEMBL6161586

SCHEMBL6161586

[CH2]CC=Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GSR P00390 1/20 0.47
CHAT P28329 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
NFE2L2 Q16236 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 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
SCHEMBL5254661 0.83 ALDH1A1 (0.48) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL5254658 0.83 ALDH1A1 (0.48) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL31500768 0.80 ALDH1A1 (0.48) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL5455154 0.80 ALDH1A1 (0.48) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL7283509 0.80 ALDH1A1 (0.48) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL6568108 0.78 CHAT (0.47) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL10590630 0.78 ALDH1A1 (0.46) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL29528779 0.78 CHAT (0.47) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL3533801 0.78 HDAC1 (0.47) ALDH1A1GSRCHATHDAC1HDAC8
SCHEMBL2095735 0.78 HDAC1 (0.47) ALDH1A1GSRCHATHDAC1HDAC8

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 5 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
CN-1010947-B PROCESS FOR PREPN. OF PYRIDOPYRIMIDINES COMPOUNDS BAYER AG (DE) 1990-12-26 CN disclosed
CN-86100279-A The method for preparing the Pyridopyrimidine compounds 1986-11-19 CN 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 ALDH1A1 187/4885GSR 2951/4885CHAT 1402/4885

“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.