SCHEMBL7091087

SCHEMBL7091087

Fc1ccc(-c2ccc3[nH]ccc3c2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.65
FEN1 P39748 4/20 0.52
ALOX5AP P20292 2/20 0.52
NPC1 O15118 1/20 0.50
GUSB P08236 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
MAP3K11 Q16584 3/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
APP P05067 1/20 0.43
PRF1 P14222 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
TDP2 O95551 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7085381 0.87 AHR (0.65) AHRFEN1ALOX5APGPR84CA1
SCHEMBL10094662 0.81 AHR (0.61) AHRFEN1ALOX5APNPC1GUSB
SCHEMBL856313 0.80 AHR (0.70) AHRNPC1GUSBGPR84MAP3K11
SCHEMBL18805065 0.80 AHR (1.00) AHRNPC1GUSBGPR84CA12
SCHEMBL228554 0.80 AHR (1.00) AHRNPC1GUSBGPR84CA12
SCHEMBL30915425 0.78 PARP10 (0.46) AHRFEN1ALOX5APGUSBPARP10
Methane SCHEMBL27929619 0.78 AHR (0.95) AHRNPC1GUSBGPR84CA12
SCHEMBL10094402 0.77 AHR (0.56) AHRFEN1ALOX5APNPC1GUSB
SCHEMBL4286388 0.76 MGLL (0.48) CA12CA1CA2CA9PIM1
SCHEMBL5850255 0.75 NPC1 (0.79) AHRNPC1GUSBMAP3K11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 AHR 4507/4885FEN1 4593/4885ALOX5AP 3080/4885
US-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 AHR 379/4885FEN1 4100/4885ALOX5AP 3307/4885

“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.