SCHEMBL2802710

SCHEMBL2802710

COc1cccc(C(O)C#Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HSD17B2 P37059 1/20 0.44
DHFR P00374 1/20 0.44
CASR P41180 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
FFAR1 O14842 1/20 0.43
PKM P14618 1/20 0.41
GRM5 P41594 1/20 0.41
PTGES O14684 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL2468153 0.88 DHFR (0.51) HSD17B2DHFR
SCHEMBL10784527 0.86 PTGS1 (0.49) FFAR1
SCHEMBL22122696 0.83 KMT2A (0.47) L3MBTL1DHFR
SCHEMBL2685285 0.83 APP (0.49) DHFR
SCHEMBL2683955 0.83 KMT2A (0.47) L3MBTL1DHFR
SCHEMBL23572596 0.83 APP (0.49) DHFR
SCHEMBL13859211 0.81 DHFR (0.45) L3MBTL1DHFR
SCHEMBL2803495 0.80 AOC3 (0.47) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL2683823 0.80 ACP3 (0.45) HSD17B2FFAR1PKMGRM5PTGES
SCHEMBL2519799 0.78 TSHR (0.52) FFAR1PKMGRM5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 CN disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
EP-0755527-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1997-06-18 EP disclosed
EP-0755527-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-01-29 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-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A AOC3 62/4885L3MBTL1 3151/4885HSD17B2 789/4885

“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.