SCHEMBL3413671

SCHEMBL3413671

Cc1cc(O)c(C(=O)CCc2ccc3c(c2)CCCC3)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 9/20 0.58
▸ SLC5A2 P31639 9/20 0.58
▸ CYP19A1 P11511 3/20 0.52
▸ TYR P14679 1/20 0.52
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC16A3 O15427 1/20 0.51
▸ TTR P02766 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL3412561 0.82 SLC5A1 (0.46) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL3410877 0.82 SLC5A1 (0.51) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL18306234 0.82 SLC5A1 (0.84) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL26244512 0.80 SLC5A1 (0.78) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL18306227 0.79 SLC5A1 (0.69) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL18306226 0.78 SLC5A1 (0.68) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL18306243 0.78 SLC5A1 (0.77) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL18306224 0.78 SLC5A1 (0.68) SLC5A1SLC5A2CYP19A1TYRNFKB1
SCHEMBL11208311 0.77 CYP1A2 (0.49) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL1682159 0.77 NFKB1 (0.83) SLC5A1SLC5A2CYP19A1TYRNFKB1

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 7 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
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
US-20050032711-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — US 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 SLC5A1 9/4885SLC5A2 10/4885CYP19A1 232/4885
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES GYS2, GPR119, UGGT1 SLC5A1 9/4885SLC5A2 10/4885CYP19A1 232/4885
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES GYS2, GPR119, PYGL SLC5A1 11/4885SLC5A2 10/4885CYP19A1 228/4885
US-20060217323-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 SLC5A1 9/4885SLC5A2 10/4885CYP19A1 232/4885

“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.

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