SCHEMBL2128477

SCHEMBL2128477

COc1c(C=O)cc(-c2ccc(C)nc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
ALDH1A1 P00352 2/20 0.35
FEN1 P39748 1/20 0.35
CNR1 P21554 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
DAPK1 P53355 1/20 0.34
ALOX5AP P20292 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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 0.87 ERN1 (0.47) ERN1FEN1ALOX5APCYP3A4TLR8
SCHEMBL2128546 0.84 LMNA (0.39) CNR1CYP3A4
SCHEMBL2128545 0.84 LMNA (0.39) CNR1CYP3A4
SCHEMBL12678917 0.77 ERN1 (0.38) ERN1ALDH1A1FEN1TSHRALOX5AP
SCHEMBL1542893 0.75 ERN1 (0.42) ERN1FEN1ALOX5APCYP3A4
SCHEMBL1542307 0.74 ERN1 (0.37) ERN1FEN1CNR1L3MBTL1ALOX5AP
SCHEMBL6342468 0.74 TNFRSF1A (0.44) ERN1ALDH1A1CYP3A4
SCHEMBL12678826 0.74 TLR8 (0.41) ERN1ALDH1A1FEN1L3MBTL1TSHR
SCHEMBL12678912 0.73 CYP3A4 (0.36) ERN1FEN1CYP3A4
SCHEMBL12678801 0.73 ERN1 (0.42) ERN1CYP3A4CYP1A2

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 3 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
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 140/4885ALDH1A1 1136/4885FEN1 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.