SCHEMBL22389484

SCHEMBL22389484

FC(F)(F)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.61
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
ALOX5 P09917 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PTPN1 P18031 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
GSTP1 P09211 1/20 0.45
AGXT P21549 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SLC6A2 P23975 1/20 0.44
P2RY14 Q15391 1/20 0.44

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
SCHEMBL26548374 1.00 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26820138 1.00 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26820145 1.00 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26547922 1.00 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26548556 0.98 KIF11 (0.59) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26548865 0.98 KIF11 (0.59) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26820155 0.94 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26830018 0.94 KIF11 (0.61) KIF11ESR1ESR2ALOX5CA1
SCHEMBL26548146 0.91 KIF11 (0.58) KIF11ESR1ESR2CA9AGXT
SCHEMBL26548524 0.91 KIF11 (0.58) KIF11ESR1ESR2CA9AGXT

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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 KIF11 3339/4885ESR1 3109/4885ESR2 4387/4885

“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.