SCHEMBL7155129

SCHEMBL7155129

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(=O)C2=C1C(=O)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 2/20 0.37
RAB9A P51151 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL13656879 1.00 GABBR2 (0.44) GABBR2GABBR1HSP90AA1NPC1CASP3
SCHEMBL6306524 0.86 GABBR2 (0.44) GABBR2GABBR1HSP90AA1NPC1CASP3
SCHEMBL7090165 0.83 ERBB2 (0.41) GABBR2GABBR1NPC1CASP3RAB9A
SCHEMBL7090167 0.83 ERBB2 (0.41) GABBR2GABBR1NPC1CASP3RAB9A
SCHEMBL7158581 0.82 SMN1; SMN2 (0.39) GABBR2GABBR1ALDH1A1SMN1; SMN2
SCHEMBL7090861 0.82 NR1H3 (0.45) GABBR2GABBR1NPC1CASP3RAB9A
SCHEMBL7159675 0.81 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL7095029 0.79 GABBR2 (0.34) GABBR2GABBR1ALDH1A1
SCHEMBL7095026 0.79 GABBR2 (0.34) GABBR2GABBR1ALDH1A1
SCHEMBL7093589 0.79 ALDH1A1 (0.38) GABBR2GABBR1NPC1CASP3RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6533825-B2 For colouring/pigmenting high-molecular-weight organic material CIBA SPECIALTY CHEMICALS CORPORATION 2003-03-18 US disclosed
US-20020095046-A1 Dibenzonaphthyrones NESVADBA PETER (CH) 2002-07-18 US disclosed
EP-1015518-B1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SC HOLDING AG (CH) 2002-05-15 EP disclosed
US-6323267-B1 MIXING HIGH MOLECULAR WEIGHT ORGANIC OR INORGANIC MATERIAL WITH ISOXINDIGO COMPOUND CIBA SPECIALTY CHEMICALS CORP. 2001-11-27 US disclosed
US-6281361-B1 COLORING, PIGMENTING CIBA SPECIALTY CHEMICALS CORP. 2001-08-28 US disclosed
EP-1095041-A2 DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
EP-1015518-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF Ciba SC Holding AG (CH) 2000-07-05 EP disclosed
WO-1999052909-A2 DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL CIBA SPECIALTY CHEMICAL HOLDING INC. (CH) 1999-10-21 WO disclosed
WO-1999013007-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-03-18 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-20020095046-A1 Dibenzonaphthyrones CYP1B1, CYP7B1, CYP1A1 GABBR2 656/4885GABBR1 866/4885HSP90AA1 4184/4885

“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.