SCHEMBL7158581

SCHEMBL7158581

Cc1cc2c(c(C(C)(C)C)c1)OC(=O)C2=C1C(=O)Oc2c1cc(C)cc2C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
NAT1 P18440 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
SCHEMBL7159338 0.83
SCHEMBL13656879 0.82 GABBR2 (0.44) SMN1; SMN2ALDH1A1GABBR2GABBR1
SCHEMBL7155129 0.82 GABBR2 (0.44) SMN1; SMN2ALDH1A1GABBR2GABBR1
SCHEMBL7159675 0.81 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL7158271 0.78 CA1 (0.44) ALDH1A1CA2POLB
SCHEMBL7158822 0.73 MAOA (0.38) ALDH1A1CYP2C9CYP2C19
SCHEMBL7636123 0.71 GAA (0.39) SMN1; SMN2ALDH1A1
SCHEMBL8327560 0.69 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13468674 0.68 PTGS1 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL6306524 0.68 GABBR2 (0.44) SMN1; SMN2ALDH1A1GABBR2GABBR1

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 SMN1; SMN2 3980/4885ALDH1A1 127/4885CA2 4156/4885

“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.