SCHEMBL6158138

SCHEMBL6158138

[CH2]/C=C(/C)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 5/20 0.52
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ KMT2A Q03164 2/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ PKM P14618 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ PTBP1 P26599 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL3729713 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL9160142 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL3729714 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL24766732 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL10465175 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL24180379 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL18410851 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL3029234 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL20808033 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL17620025 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1LMNA

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 187/4885KDM4E 4077/4885CES2 19/4885

“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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