SCHEMBL1542268

SCHEMBL1542268

COc1ccc(C(C)(C)C)cc1OBOc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
ACHE P22303 1/20 0.38
METAP2 P50579 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
ALPL P05186 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL29436012 0.86 CA2 (0.50) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL179467 0.86 CA2 (0.50) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL531610 0.83 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2KMT2AHSD17B10MEN1
SCHEMBL28891675 0.82 CA2 (0.44) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL15372163 0.78 CA1 (0.44) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL8194032 0.76 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2KMT2AHSD17B10MEN1
SCHEMBL12828080 0.76 CA1 (0.42) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL12024915 0.76 PDE4A (0.47) ALDH1A1SMN1; SMN2HSD17B10HTTKDM4E
SCHEMBL7849070 0.76 KMT2A (0.43) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL2051020 0.75 ALDH1A1 (0.45) CA1CA2CA9ALDH1A1SMN1; SMN2

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 CA1 4874/4885CA2 4842/4885CA9 3305/4885

“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.