SCHEMBL513338

SCHEMBL513338

Cc1[c]cc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PGR P06401 4/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
TGFBR1 P36897 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL457326 0.77 TAAR1 (0.48) CYP17A1CYP11B1CYP11B2PGR
SCHEMBL510184 0.77 ACHE (0.40) NFE2L2PTGS2ALDH1A1PTGS1
SCHEMBL2432908 0.76 CYP17A1 (0.37) NOTUMCYP17A1CYP11B1CYP11B2PGR
SCHEMBL698032 0.75 CYP17A1 (0.39) NOTUMCYP17A1CYP11B1CYP11B2PGR
SCHEMBL13741967 0.75 CYP17A1 (0.52) NOTUMCYP17A1CYP11B1CYP11B2PGR
SCHEMBL513430 0.73 ESR2 (0.51) NOTUMPGRALDH1A1CYP1A2
SCHEMBL509338 0.72 CYP1A2 (0.42) PTGS2CYP1A2
SCHEMBL15063674 0.72 ALDH1A1 (0.42) ALDH1A1GAA
SCHEMBL2750617 0.72 NOTUM (0.39) NOTUMCYP17A1CYP11B1CYP11B2PGR
SCHEMBL512908 0.72 ACHE (0.42) NOTUMPGRALDH1A1HSD17B1HSD17B2

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR NOTUM 1938/4885CYP17A1 2027/4885CYP11B1 793/4885

“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.