SCHEMBL7091832

SCHEMBL7091832

FC(F)(F)c1ccc(-c2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
KIF11 P52732 5/20 0.50
AHR P35869 3/20 0.48
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.44
CMA1 P23946 1/20 0.44
TYR P14679 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
S1PR1 P21453 2/20 0.43
MPO P05164 1/20 0.43
KCNH2 Q12809 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL7088387 0.88 S1PR1 (0.51) ESR1KIF11AHRCMA1TYR
SCHEMBL7084999 0.86 NPC1 (0.62) ESR1KIF11AHRNPC1EPHX2
SCHEMBL45243 0.85 KIF11 (0.65) ESR1KIF11AHRCMA1TYR
SCHEMBL29355842 0.85 KIF11 (0.65) ESR1KIF11AHRCMA1TYR
SCHEMBL10236267 0.82 CHRNB4 (0.47) KIF11AHRNPC1CMA1TYR
SCHEMBL147946 0.79 AHR (0.70) ESR1AHRNPC1CMA1TYR
SCHEMBL3860188 0.78 GHSR (0.51) AHRNPC1CMA1TYRCHRNB4
SCHEMBL29275206 0.78 ESR1 (0.51) ESR1KIF11AHRCMA1TYR
SCHEMBL18000228 0.78 BRAF (0.58) AHRNPC1CMA1TYRCHRNB4
SCHEMBL13676215 0.78 TRPV1 (0.45) ESR1KIF11NPC1EPHX2CHRNB4

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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 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 (2 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 ESR1 2251/4885KIF11 3370/4885AHR 379/4885
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 ESR1 3109/4885KIF11 3339/4885AHR 1255/4885

“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.