SCHEMBL4196568

SCHEMBL4196568

CC(C)(C)c1cc(C=O)c2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 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
SCHEMBL4206573 0.77 PDK2 (0.42) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL13278527 0.73 ALDH1A1 (0.50) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL6504078 0.72 GABBR2 (0.36)
SCHEMBL12263949 0.70 LPL (0.33)
SCHEMBL28627082 0.68 MEN1 (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL26489506 0.68 NPC1 (0.36) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL23511916 0.68 TDP1 (0.42) MLNRNR1I2CHRM2ADRB1HTR1A
SCHEMBL15853142 0.68 PDK2 (0.36) PGR
SCHEMBL22197696 0.67 NPC1 (0.30) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL2524003 0.67 NPC1 (0.35) ALDH1A1CASP3SENP8SENP7SENP6

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-8072137-B2 Fused heterocyclic compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
WO-2008016166-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-02-07 WO 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-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TYR, CRY1, LAGE3 ALDH1A1 145/4885CASP3 2906/4885SENP8 2188/4885

“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.