SCHEMBL13757489

SCHEMBL13757489

COc1ccc2c(OC(C)C)ncnc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
CSF1R P07333 5/20 0.49
EGFR P00533 7/20 0.49
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GRM1 Q13255 1/20 0.41
AURKB Q96GD4 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
LCK P06239 1/20 0.40
SRC P12931 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL13763602 0.85 TRPA1 (0.62) TRPA1CSF1REGFRMAPTHTR1A
SCHEMBL8137955 0.81 TRPA1 (0.62) TRPA1CSF1REGFRMAPTHTR1A
SCHEMBL28050003 0.79 NR4A2 (0.47) EGFRATMLCK
SCHEMBL13763743 0.79 TRPA1 (0.57) TRPA1CSF1REGFRMAPTHTR1A
SCHEMBL13757426 0.78 TRPA1 (0.56) TRPA1CSF1REGFRMAPTHTR1A
SCHEMBL12141884 0.78 EGFR (0.51) TRPA1CSF1REGFRMAPTHTR1A
SCHEMBL20782877 0.78 LCK (0.57) TRPA1EGFRFLT3LCKSRC
SCHEMBL15483521 0.76 ALDH1A1 (0.36) TRPA1CSF1RMAPTSRC
SCHEMBL13385161 0.75 TRPA1 (0.56) TRPA1MAPTATMHTR1AADRA1D
SCHEMBL12762533 0.75 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 TRPA1 4344/4885CSF1R 4645/4885EGFR 4034/4885

“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.