SCHEMBL1542575

SCHEMBL1542575

COc1ncccc1-c1cc(C(C)(C)C)cc(CCc2ccc(N)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.38
▸ GPBAR1 Q8TDU6 4/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ESRRG P62508 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ SLC13A5 Q86YT5 1/20 0.32

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
SCHEMBL1542497 0.84 CYP3A4 (0.47) —
SCHEMBL1542519 0.76 CYP3A4 (0.47) —
SCHEMBL1542227 0.75 CYP3A4 (0.47) CYP19A1ALOX5APCHRNA7LOXL2FEN1
SCHEMBL6832550 0.72 GPR84 (0.34) CYP19A1ESRRG
SCHEMBL2129553 0.72 ERN1 (0.45) GPBAR1GABRA1
SCHEMBL6371463 0.71 CYP1A2 (0.41) GPBAR1LOXL2GABRA1SLC13A5
SCHEMBL1542384 0.71 CYP3A4 (0.44) —
SCHEMBL1542364 0.70 BTK (0.43) GPBAR1ALOX5APCHRNA7LOXL2GABRA1
SCHEMBL6445515 0.69 BTK (0.38) GPBAR1GABRA1
SCHEMBL6365092 0.67 ALDH1A1 (0.38) GPBAR1

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
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

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 CYP19A1 1594/4885GPBAR1 1577/4885ALOX5AP 3584/4885

“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.

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