SCHEMBL712888

SCHEMBL712888

CC(C)(C)O[CH]Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
LTA4H P09960 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.34
RIPK1 Q13546 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 2/20 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
SCHEMBL6606014 0.83 LTA4H (0.50) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL28369275 0.80 LTA4H (0.47) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL4635903 0.77 TSHR (0.36) CA4ALDH1A1LTA4HTSHRRAB9A
SCHEMBL1543834 0.73 CA4 (0.50) CA4LTA4HTSHRNPC1LMNA
SCHEMBL2108385 0.71 CA4 (0.42) CA4ALDH1A1ALOX15LTA4HTSHR
Tert-Butyl Formate SCHEMBL28210579 0.71 TDP1 (0.56) CA4ALDH1A1LTA4HTSHRTDP1
SCHEMBL7057721 0.68 CA4 (0.39) CA4ALDH1A1LTA4HTSHRL3MBTL1
SCHEMBL6002697 0.68 LTA4H (0.43) CA4ALDH1A1LTA4HTSHRTDP1
SCHEMBL93074 0.67 CA4 (0.48) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL932 0.67

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 6 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
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A CA4 711/4885ALDH1A1 3333/4885ALOX15 1432/4885

“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.