SCHEMBL1542893

SCHEMBL1542893

COc1ncccc1-c1cc(C=O)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.42
BTK Q06187 1/20 0.40
CYP3A4 P08684 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
DHODH Q02127 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
NFE2L2 Q16236 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
METAP2 P50579 2/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL13071658 0.88 ERN1 (0.38) ERN1CYP3A4FFAR4METAP2
SCHEMBL12678801 0.88 ERN1 (0.42) ERN1CYP3A4
SCHEMBL846684 0.87 ERN1 (0.47) ERN1CYP3A4FFAR4ALOX5APFEN1
SCHEMBL12680576 0.87 ERN1 (0.47) ERN1CYP3A4
SCHEMBL2128538 0.84 CYP3A4 (0.47) CYP3A4FFAR4DHODHPTGES2LOXL2
SCHEMBL2128540 0.84 CYP3A4 (0.47) CYP3A4FFAR4DHODHPTGES2LOXL2
SCHEMBL12678842 0.82 CYP3A4 (0.39) BTKCYP3A4FFAR4DHODHPTGES2
SCHEMBL3425198 0.81 ERN1 (0.43) ERN1BTKFFAR4DHODHLOXL2
SCHEMBL3422500 0.81 ERN1 (0.34) ERN1CYP3A4NFE2L2
SCHEMBL1542276 0.81 ALOX5AP (0.43) BTKFFAR4DHODHPTGES2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ERN1 140/4885BTK 2299/4885CYP3A4 528/4885

“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.