SCHEMBL12678917

SCHEMBL12678917

C=Cc1cc(-c2cccnc2OCc2ccccc2)cc(C(C)(C)C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
RORC P51449 2/20 0.35
ALOX5AP P20292 1/20 0.34
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
TLR8 Q9NR97 1/20 0.33
FEN1 P39748 1/20 0.33
CYP3A4 P08684 1/20 0.33
NAAA Q02083 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL846684 0.90 ERN1 (0.47) ERN1RORCALOX5APMGAMGAA
SCHEMBL12678912 0.85 CYP3A4 (0.36) ERN1RORCFEN1CYP3A4KDM4E
SCHEMBL12678826 0.85 TLR8 (0.41) ERN1RORCALOX5APMGAMGAA
SCHEMBL12680411 0.84 CYP3A4 (0.34) ERN1RORCCYP3A4FFAR4
SCHEMBL1542393 0.84 ALOX5AP (0.40) RORCALOX5APMGAMGAASI
SCHEMBL12678910 0.84 ERN1 (0.34) ERN1RORCALOX5APMGAMGAA
SCHEMBL1542307 0.83 ERN1 (0.37) ERN1RORCALOX5APMGAMGAA
SCHEMBL12678914 0.82 TDP1 (0.38) ERN1RORCCYP3A4ALDH1A1LMNA
SCHEMBL847642 0.82 RORC (0.35) ERN1RORCALOX5APMGAMGAA
SCHEMBL3187209 0.80 IKBKB (0.46) RORCFFAR4

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US 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 ERN1 140/4885RORC 791/4885ALOX5AP 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.