SCHEMBL13290010

SCHEMBL13290010

O=c1c(O)c(-c2cccc(F)c2)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
NOTUM Q6P988 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTPN1 P18031 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
AR P10275 1/20 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
SCHEMBL13290007 0.98 ESR2 (0.50) ESR2HSD17B1HSD17B2TAAR1CYP1A1
SCHEMBL13290004 0.90 ESR2 (0.53) ESR2HSD17B1HSD17B2TAAR1CYP1A1
SCHEMBL13290032 0.77 MAPT (0.55) MAPTNOTUMCES2
SCHEMBL13290009 0.76 SERPINE1 (0.41) ESR2MAPTCES2CES1
SCHEMBL12432447 0.76 MAPT (0.56) CYP1B1MEN1MAPTKMT2AAR
SCHEMBL13290029 0.75 MAPT (0.56) MAPTNOTUMCES2
SCHEMBL2202541 0.74 SERPINE1 (0.42) ESR2MAPTCES2CES1
SCHEMBL2203880 0.73 MAPT (0.59) CYP1B1MEN1MAPTKMT2AAR
SCHEMBL14278528 0.73 TAAR1 (0.39) ESR2TAAR1CYP1A2NOTUMPTPN1
SCHEMBL13290017 0.73 ALDH1A1 (0.51) MEN1MAPTKMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136459-A1 ELECTROLYTE CONTAINING OXOCARBON MOLECULE AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100136459-A1 ELECTROLYTE CONTAINING OXOCARBON MOLECULE AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US 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-20100136459-A1 ELECTROLYTE CONTAINING OXOCARBON MOLECULE AND USE THEREOF EPCAM, CCNE2, ESR1 ESR2 13/4885HSD17B1 953/4885HSD17B2 672/4885

“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.