SCHEMBL711638

SCHEMBL711638

[CH2]c1cc(OC(F)(F)F)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABL1 P00519 1/20 0.40
RUNX1 Q01196 2/20 0.39
ALPL P05186 3/20 0.39
SCN5A Q14524 1/20 0.38
GRM7 Q14831 2/20 0.38
GRIN2B Q13224 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3027958 0.87 GPR3 (0.43) GPR3CA12CA1CA2CA7
SCHEMBL2043198 0.86 GPR3 (0.46) GPR3SCN5A
SCHEMBL16952353 0.85 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL12422184 0.82 CA12 (0.61) GPR3CA12CA1CA2CA7
SCHEMBL16955235 0.81 TACR1 (0.39) GPR3GRM7HCRTR1HCRTR2
SCHEMBL16953615 0.81 S1PR1 (0.43) GPR3GRM7HCRTR1HCRTR2
SCHEMBL232793 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL5158453 0.79 ALDH1A1 (0.46) GPR3CA12CA1CA2CA7
SCHEMBL8302095 0.79 GPR3 (0.44) GPR3CA12CA1CA2CA7
SCHEMBL6568253 0.78 GPR3 (0.42) GPR3CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP claimed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US claimed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A GPR3 788/4885CA12 1661/4885CA1 709/4885

“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.