SCHEMBL6832550

SCHEMBL6832550

CC(C)(C)c1cc(CCc2ccc(N)cc2)c(O)c(-c2ncc[nH]c2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
ESRRG P62508 1/20 0.34
DAO P14920 1/20 0.33
CYP3A4 P08684 1/20 0.32
DHODH Q02127 1/20 0.31
EPHX2 P34913 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2746103 0.85 CYP3A4 (0.49) CYP3A4EPHX2
SCHEMBL6832562 0.78 KDM1A (0.35) CYP3A4CYP19A1
SCHEMBL6832548 0.74 CYP3A4 (0.38) CYP3A4CYP19A1
SCHEMBL1542575 0.72 CYP19A1 (0.38) ESRRGCYP19A1
SCHEMBL6832645 0.72 CYP3A4 (0.51) CYP3A4CYP19A1
SCHEMBL1543186 0.72 CYP3A4 (0.42) GPR84DAOCYP3A4
SCHEMBL12133914 0.71 CYP3A4 (0.39) DAOCYP3A4CYP19A1
SCHEMBL12849881 0.67 NPC1 (0.37) DAOCYP3A4CYP19A1
SCHEMBL1542324 0.67 CYP3A4 (0.62) CYP3A4EPHX2
SCHEMBL6832450 0.67 CYP19A1 (0.34) CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 GPR84 2086/4885ESRRG 427/4885DAO 2606/4885

“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.