SCHEMBL1542282

SCHEMBL1542282

COc1c(C=O)cc(Br)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.47
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRKDC P78527 1/20 0.41
PTGS2 P35354 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TNFRSF1A P19438 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MCL1 Q07820 1/20 0.35
ERBB2 P04626 2/20 0.34
EGFR P00533 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL12597546 0.89 ERN1 (0.44) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL10323567 0.85 ERN1 (0.46) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1729069 0.84 ALDH1A1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1542960 0.83 ALDH1A1 (0.40) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL2128796 0.82 LMNA (0.45) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1304740 0.81 PTGS2 (0.50) ALDH1A1CYP1A2PTGS2TSHRTDP1
SCHEMBL314046 0.81 RARG (0.42) ERN1ALDH1A1PRKDCPTGS2TSHR
SCHEMBL6766393 0.79 MCL1 (0.41) ERN1ALDH1A1PRKDCPTGS2TSHR
SCHEMBL15456307 0.78 ALDH1A1 (0.38) ERN1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1071145 0.78 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 US disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 US disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US 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
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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 (3 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-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, RRM2B ERN1 83/4885ALDH1A1 756/4885CYP1A2 346/4885
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 ERN1 24/4885ALDH1A1 938/4885CYP1A2 610/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ERN1 140/4885ALDH1A1 1136/4885CYP1A2 743/4885

“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.