SCHEMBL1542211

SCHEMBL1542211

COc1c(C(C)(C)C)cc(Br)c(OCc2ccccc2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TNFRSF1A P19438 1/20 0.38

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
SCHEMBL5365873 0.82 MAOA (0.46) THRBTHRAEGFRERBB2MAPT
SCHEMBL7073099 0.79 KMT2A (0.40) THRBTHRAEGFRERBB2MAPT
SCHEMBL5366582 0.77 MAOA (0.51) MAPTHPGDGAAALDH1A1KDM4E
SCHEMBL6473455 0.76 THRB (0.46) THRBTHRAMAPTMEN1KMT2A
SCHEMBL5083962 0.76 THRB (0.46) THRBTHRAMAPTMEN1KMT2A
SCHEMBL2112661 0.74 MAPT (0.48) THRBTHRAMAPTMEN1KMT2A
SCHEMBL7536318 0.74 TUBB1 (0.51) THRBTHRAMAPTMEN1KMT2A
SCHEMBL31500322 0.74 MAPT (0.50) THRBTHRAMAPTMEN1KMT2A
SCHEMBL6958225 0.74 ERN1 (0.50) THRBMAPTMEN1KMT2AHPGD
SCHEMBL16018683 0.73 MAPT (0.47) THRBTHRAMAPTMEN1KMT2A

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 THRB 1249/4885THRA 1846/4885EGFR 2347/4885

“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.