SCHEMBL1542267

SCHEMBL1542267

COc1ccc(C(C)(C)C)cc1.OBO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 1/20 0.59
APEX1 P27695 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
EPHX2 P34913 1/20 0.51
KMT2A Q03164 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL3665016 0.91 MAPT (0.64) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL78643 0.91 MAPT (0.64) MAPTALDH1A1MAPK1LMNATDP1
Fluoride SCHEMBL31538992 0.88 MAPT (0.62) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL9729672 0.84 ALDH1A1 (0.65) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL16281499 0.84 MAPT (0.58) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL2608411 0.84 MAPT (0.58) MAPTALDH1A1MAPK1LMNATDP1
1,4-Dimethoxybenzene SCHEMBL4957328 0.83 CA1 (0.73) MAPTALDH1A1MAPK1TDP1RECQL
SCHEMBL6889053 0.80 ALDH1A1 (0.73) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL395599 0.79 MAPT (0.74) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL3633529 0.79 MAPT (0.64) MAPTALDH1A1MAPK1LMNATDP1

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 MAPT 4356/4885ALDH1A1 1136/4885MAPK1 3018/4885

“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.