SCHEMBL6159679

SCHEMBL6159679

[CH]=CCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
NAAA Q02083 1/20 0.43
IDO1 P14902 1/20 0.41
LTA4H P09960 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGXT P21549 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 2/20 0.38

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
SCHEMBL1991359 0.79 TSHR (0.78) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL1867995 0.79 TSHR (0.56) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL27792897 0.79 TSHR (0.56) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL1428305 0.79 TSHR (0.56) TSHRNAAAIDO1LTA4HHTT
SCHEMBL4055858 0.79 TSHR (0.56) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL1353502 0.78 TSHR (0.61) TSHRNAAAIDO1AGXTCA1
SCHEMBL9246042 0.78 TSHR (0.54) TSHRNAAAIDO1LTA4HHTT
SCHEMBL1923696 0.78 TSHR (0.54) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL27523586 0.78 TSHR (0.54) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL9505432 0.77 TSHR (0.74) TSHRNAAAIDO1LTA4HTDP1

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 TSHR 2333/4885NAAA 33/4885IDO1 4255/4885

“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.