SCHEMBL6161477

SCHEMBL6161477

C=CC[CH]c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ GSR P00390 1/20 0.44
▸ TRPA1 O75762 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ GRIN2C Q14957 2/20 0.37
▸ GRIN3A Q8TCU5 2/20 0.37
▸ CHAT P28329 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL1157213 0.76 ALDH1A1 (0.52) ALDH1A1GSRTRPA1LMNATSHR
SCHEMBL1412292 0.76 ALDH1A1 (0.78) ALDH1A1GSRTRPA1LMNATSHR
SCHEMBL15848 0.75 — —
SCHEMBL29389188 0.75 — —
SCHEMBL678283 0.75 ALDH1A1 (1.00) ALDH1A1GSRTRPA1LMNATSHR
Cyclopropane SCHEMBL11295439 0.74 ALDH1A1 (0.86) ALDH1A1GSRTRPA1LMNATSHR
SCHEMBL1759611 0.74 ALDH1A1 (0.50) ALDH1A1GSRTRPA1LMNATSHR
SCHEMBL21708676 0.74 ALDH1A1 (0.50) ALDH1A1GSRTRPA1LMNATSHR
Allylamine SCHEMBL27462887 0.74 ALDH1A1 (0.75) ALDH1A1GSRTRPA1LMNATSHR
Hydrogen Sulfide SCHEMBL29004370 0.73 ALDH1A1 (0.95) ALDH1A1GSRTRPA1LMNATSHR

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 ALDH1A1 187/4885GSR 2951/4885TRPA1 4736/4885

“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.

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