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.