SCHEMBL3407663

SCHEMBL3407663

COc1ccc2c(c1)CCC(CCC(=O)c1c(O)cc(C)cc1O)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.53
CYP19A1 P11511 2/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ACHE P22303 3/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4622326 0.81 CYP26A1 (0.58) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4622590 0.79 CYP26A1 (0.56) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4621232 0.78 CA1 (0.57) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4622235 0.76 CA1 (0.55) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL3412561 0.74 SLC5A1 (0.46) CYP26A1CYP19A1NFKB1NFKB2RELA
SCHEMBL4621033 0.74 CYP26A1 (0.61) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL8042881 0.73 CYP26A1 (0.55) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4623036 0.73 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL7288575 0.73 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL2305878 0.72 CYP26A1 (0.56) CYP26A1CYP19A1CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816331-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES PATEL MONA 2010-03-11 US disclosed
EP-1680414-A4 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES PATEL MONA 2009-04-16 US disclosed
US-7511021-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060217323-A1 Substituted indazole-O-glucosides Tanabe Pharma Corporation (JP) 2006-09-28 US disclosed
US-7084124-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-01 US disclosed
EP-1680414-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050032711-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 US disclosed
WO-2005011592-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (4 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-20050032711-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 CYP26A1 455/4885CYP19A1 232/4885CA1 4694/4885
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES GYS2, GPR119, UGGT1 CYP26A1 455/4885CYP19A1 232/4885CA1 4694/4885
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES GYS2, GPR119, PYGL CYP26A1 438/4885CYP19A1 228/4885CA1 4655/4885
US-20060217323-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 CYP26A1 455/4885CYP19A1 232/4885CA1 4694/4885

“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.