Sugi Predict

Sugi Predict / Compounds / SCHEMBL1543045

SCHEMBL1543045

SCHEMBL1543045

COc1c(C=Cc2ccccc2C(C)=O)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ TNFRSF1A P19438 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 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
SCHEMBL1543043 1.00 CYP3A4 (0.61) CYP3A4TNFRSF1ATRPV1CYP1A2CYP2D6
SCHEMBL2128073 0.92 CYP3A4 (0.61) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL1542955 0.92 CYP3A4 (0.61) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL2128341 0.91 CYP3A4 (0.62) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL1542678 0.91 CYP3A4 (0.62) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL1542383 0.85 CYP3A4 (0.64) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL1542386 0.85 CYP3A4 (0.64) CYP3A4TNFRSF1ACYP1A2CYP2D6CYP1A1
SCHEMBL1764330 0.85 CYP3A4 (0.74) CYP3A4TNFRSF1ACYP1A2CYP1A1EGFR
SCHEMBL1764331 0.85 CYP3A4 (0.74) CYP3A4TNFRSF1ACYP1A2CYP1A1EGFR
SCHEMBL2129945 0.84 CYP3A4 (0.62) CYP3A4TRPV1EGFRERBB2LMNA

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 8 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 claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US claimed
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 CYP3A4 528/4885TNFRSF1A 3330/4885TRPV1 4645/4885

“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.