SCHEMBL2129553

SCHEMBL2129553

COc1ncccc1-c1cc(C(C)(C)C)cc(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.45
BTK Q06187 1/20 0.40
GPBAR1 Q8TDU6 3/20 0.38
GABRA1 P14867 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
SCHEMBL6445515 0.89 BTK (0.38) ERN1BTKGPBAR1GABRA1
SCHEMBL6365092 0.84 ALDH1A1 (0.38) GPBAR1
SCHEMBL4962424 0.80 ERN1 (0.51) ERN1BTK
SCHEMBL1543562 0.79 ERN1 (0.41) ERN1BTKGPBAR1
SCHEMBL29785434 0.78 ERN1 (0.47) ERN1GABRA1
SCHEMBL28311710 0.78 ERN1 (0.47) ERN1GABRA1
SCHEMBL14091647 0.75 ERN1 (0.71) ERN1
SCHEMBL12834046 0.75 ERN1 (0.55) ERN1BTK
SCHEMBL12834050 0.74 ERN1 (0.63) ERN1
SCHEMBL12834051 0.74 ERN1 (0.54) ERN1

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 3 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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP 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 2299/4885GPBAR1 1577/4885

“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.