SCHEMBL6157727

SCHEMBL6157727

CC/C=[C]\c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.33
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PNMT P11086 1/20 0.31
IDO1 P14902 1/20 0.31
PYCR1 P32322 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
RELA Q04206 1/20 0.30
NFE2L2 Q16236 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1611529 0.77 TSHR (0.46) TSHRGRM5FFAR1ALDH1A1TAAR1
SCHEMBL6157011 0.76 CA1 (0.44) TSHRLMNAGRM5PTGDR2FFAR1
SCHEMBL1611479 0.72 CHAT (0.40) TSHRGRM5ALDH1A1
1,2-Dichlorobenzene SCHEMBL28151921 0.71 TSHR (0.71) TSHRLMNAALDH1A1PNMTIDO1
SCHEMBL9126043 0.71 TSHR (0.32) TSHR
SCHEMBL10698566 0.71 TSHR (0.32) TSHR
SCHEMBL5598526 0.70 ALDH1A1 (0.43) KCNH2TSHRLMNAGRM5PTGDR2
SCHEMBL8121748 0.69 GABRA1 (0.41)
SCHEMBL1611119 0.69 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL1610611 0.69 FFAR1 (0.36) TSHRFFAR1ALDH1A1

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 KCNH2 4434/4885TSHR 2333/4885LMNA 449/4885

“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.