SCHEMBL6313837

SCHEMBL6313837

COc1cc2c(c(C(C)(C)C)c1)OC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 1/20 0.43
EGFR P00533 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
METAP1 P53582 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
ELANE P08246 1/20 0.31
IDO1 P14902 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL25523060 0.79 SMN1; SMN2 (0.38) CA2SMN1; SMN2ALDH1A1
SCHEMBL29692994 0.79 GABBR2 (0.43) CA2CA12CA9ELANE
SCHEMBL502464 0.79 GABBR2 (0.43) CA2CA12CA9ELANE
SCHEMBL8908019 0.76 CA1 (0.44) CA2CA1EGFRGAAALDH1A1
SCHEMBL6976097 0.72 MAPT (0.36) CA2KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL28506063 0.71 CA2 (0.53) CA2CA1EGFRGAAALDH1A1
SCHEMBL6830309 0.70 AKR1B1 (0.41) CA2KDM4EALDH1A1HPGDCA12
SCHEMBL7158271 0.70 CA1 (0.44) CA2CA1EGFRGAAKDM4E
SCHEMBL7089410 0.70 GAA (0.39) GAAKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL8634112 0.69 CA1 (0.37) CA2CA1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872839-B1 Benzofuran-2-one CIBASPECIALTY CHEMICALS CORP. (US) 2005-03-29 US disclosed
EP-1159276-B1 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS CIBA SC HOLDING AG (CH) 2003-10-22 EP disclosed
US-20030121113-A1 Oxobenzofuranylide-dihydroindolone NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6533825-B2 For colouring/pigmenting high-molecular-weight organic material CIBA SPECIALTY CHEMICALS CORPORATION 2003-03-18 US disclosed
US-6503937-B1 Coloring agents for high molecular weight materials such as polymers CIBA SPECIALTY CHEMICALS CORPORATION 2003-01-07 US disclosed
EP-1123289-B1 OXOBENZOFURANYLIDE-DIHYDROINDOLONES CIBA SC HOLDING AG (CH) 2002-11-27 EP 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
EP-1159276-A2 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS Ciba SC Holding AG (CH) 2001-12-05 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-1123289-A1 OXOBENZOFURANYLIDE-DIHYDROINDOLONE Ciba SC Holding AG (CH) 2001-08-16 EP 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
WO-2000053597-A2 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed
EP-1015518-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF Ciba SC Holding AG (CH) 2000-07-05 EP disclosed
WO-2000024736-A1 OXOBENZOFURANYLIDE-DIHYDROINDOLONE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-04 WO 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
US-5187161-A Antiinflammatory agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-02-16 US disclosed
EP-0414913-A1 p-AMINOPHENOL DERIVATIVE AND PRODUCTION AND APPLICATION THEREOF OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-03-06 EP 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 (2 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-20030121113-A1 Oxobenzofuranylide-dihydroindolone CYP1B1, CYP1A1, ECI1 CA2 1668/4885CA1 1512/4885EGFR 4081/4885
US-20020095046-A1 Dibenzonaphthyrones CYP1B1, CYP7B1, CYP1A1 CA2 4156/4885CA1 3579/4885EGFR 2194/4885

“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.