SCHEMBL7541806

SCHEMBL7541806

Oc1cc(Oc2ccc(O)c3ccccc23)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.52
TRPM4 Q8TD43 1/20 0.48
IDO1 P14902 2/20 0.44
CYP1A2 P05177 2/20 0.42
ALOX5 P09917 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PTGS1 P23219 1/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
EP300 Q09472 1/20 0.37

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
SCHEMBL11214170 0.86 GAA (0.51) TRPM4IDO1CYP1A2ALOX5GAA
SCHEMBL7536353 0.82 POLB (0.44) NQO2
SCHEMBL11078909 0.78 IDO1 (0.54) IDO1ESR1ESR2GAAEP300
SCHEMBL1581774 0.78 IDO1 (0.65) IDO1CYP1A2ESR1ESR2GAA
SCHEMBL16346480 0.76 NQO2 (0.87) NQO2TRPM4IDO1CYP1A2ALOX5
SCHEMBL14243918 0.75 CYP1A2 (0.55) NQO2TRPM4CYP1A2ESR1ESR2
SCHEMBL4339749 0.75 CYP1A2 (0.54) IDO1CYP1A2ESR1ESR2PTGS1
SCHEMBL13899985 0.75 IDO1 (0.45) IDO1GAA
SCHEMBL21554197 0.74 PTPN22 (0.55) NQO2TRPM4CYP1A2GAARCE1
SCHEMBL911036 0.73 NQO2 (0.61) NQO2TRPM4CYP1A2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 NQO2 4389/4885TRPM4 1666/4885IDO1 2046/4885

“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.