SCHEMBL1542468

SCHEMBL1542468

COc1ncccc1-c1cc(Oc2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
DHODH Q02127 1/20 0.40
FEN1 P39748 2/20 0.39
PDE10A Q9Y233 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL1542640 0.79 LOXL2 (0.40) NAAADHODHFEN1FFAR4NPC1
SCHEMBL1542308 0.79 FFAR4 (0.40) NAAADHODHFEN1FFAR4NPC1
SCHEMBL15394636 0.77 KIF11 (0.53) DHODHFEN1FFAR4PTGES2LOXL2
SCHEMBL24156254 0.73 FEN1 (0.49) DHODHFEN1PDE10AMEN1KMT2A
SCHEMBL13422264 0.73 DHODH (0.53) NAAADHODHFEN1FFAR4MEN1
SCHEMBL23572019 0.73 TRPV1 (0.43) MEN1MAPTKMT2ANPSR1NPC1
SCHEMBL29889754 0.72 TUBB4A (0.50) PDE10A
SCHEMBL1543363 0.72 GSTP1 (0.42) NPC1RAB9A
SCHEMBL23571992 0.70 GRM5 (0.41) MEN1KMT2ANPC1RAB9A
SCHEMBL4056518 0.70 DHODH (0.54) NAAADHODHFEN1FFAR4MEN1

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 NAAA 1097/4885DHODH 1505/4885FEN1 2337/4885

“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.