SCHEMBL7158271

SCHEMBL7158271

COc1cc2c(c(C(C)(C)C)c1)OC(=O)C2=C1C(=O)Oc2c1cc(OC)cc2C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34
SLC2A1 P11166 2/20 0.33
EGFR P00533 1/20 0.32
SHMT2 P34897 1/20 0.32
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
AR P10275 1/20 0.31
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
GAA P10253 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
SCHEMBL7089048 0.84 ERBB2 (0.43) ALDH1A1CYP1A2CYP3A4EGFRHPGD
SCHEMBL7089049 0.84 ERBB2 (0.43) ALDH1A1CYP1A2CYP3A4EGFRHPGD
SCHEMBL7092128 0.83 TTR (0.40) CA1CA2KDM4EALDH1A1ELANE
SCHEMBL7092131 0.83 TTR (0.40) CA1CA2KDM4EALDH1A1ELANE
SCHEMBL7093048 0.80 GSK3B (0.31) CA1CA2EGFRSTK10SLK
SCHEMBL7093047 0.80 GSK3B (0.31) CA1CA2EGFRSTK10SLK
SCHEMBL7090188 0.80 ERBB2 (0.38) ALDH1A1CYP1A2CYP3A4EGFRHPGD
SCHEMBL7090186 0.80 ERBB2 (0.38) ALDH1A1CYP1A2CYP3A4EGFRHPGD
SCHEMBL7155129 0.78 GABBR2 (0.44) ALDH1A1
SCHEMBL7158581 0.78 SMN1; SMN2 (0.39) CA2ALDH1A1POLB

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 CA1 3579/4885CA2 4156/4885KDM4E 2879/4885

“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.