SCHEMBL5218079

SCHEMBL5218079

COC(COc1nccc2ccccc12)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
CYP2A6 P11509 1/20 0.44
GRM4 Q14833 9/20 0.43
ACACB O00763 1/20 0.42
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.40
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
NR2E1 Q9Y466 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL28033606 0.80 TRPA1 (0.47) TRPA1CYP2A6GRM4ACACBF12
SCHEMBL29868570 0.78 CYP2A6 (0.52) TRPA1CYP2A6GRM4ACACBF12
SCHEMBL4268270 0.78 CYP2A6 (0.52) TRPA1CYP2A6GRM4ACACBF12
SCHEMBL28466194 0.77 GRM4 (0.38) GRM4LMNANR2E1
SCHEMBL29935464 0.77 GRM4 (0.38) GRM4LMNANR2E1
SCHEMBL30223171 0.77 CYP2A6 (0.55) TRPA1CYP2A6F12PLAUNCF1
SCHEMBL2231183 0.77 CYP2A6 (0.55) TRPA1CYP2A6F12PLAUNCF1
SCHEMBL10090178 0.77 GRM4 (0.54) TRPA1CYP2A6GRM4ACACBF12
Hydrochloric Acid SCHEMBL30098536 0.75 CYP2A6 (0.53) TRPA1CYP2A6F12PLAUNCF1
Hydrochloric Acid SCHEMBL4768614 0.75 CYP2A6 (0.53) TRPA1CYP2A6F12PLAUNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 TRPA1 1145/4885CYP2A6 3/4885GRM4 2041/4885

“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.