SCHEMBL3410776

SCHEMBL3410776

Cc1cc(OCc2ccccc2)c(C=CC(=O)C2=CCCCC2)c(OCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ PTGER4 P35408 4/20 0.39
▸ PTGER2 P43116 4/20 0.39
▸ PTGER1 P34995 3/20 0.39
▸ PTGER3 P43115 3/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ APP P05067 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL3410782 0.81 PDE4A (0.45) AKR1C3PTGER4PTGER2PTGER1PTGER3
SCHEMBL3407233 0.76 MAOB (0.49) LMNAALDH1A1THRB
SCHEMBL1682157 0.75 MAOB (0.66) APPKDM4EALDH1A1THRBSMN1; SMN2
SCHEMBL3413354 0.73 RAB9A (0.42) PTGER4PTGER2PTGER1PTGER3LMNA
SCHEMBL25217712 0.68 SLC5A1 (0.62) APPLMNAKDM4EPDE4APDE4B
SCHEMBL30384069 0.68 SLC5A1 (0.62) APPLMNAKDM4EPDE4APDE4B
SCHEMBL14616680 0.68 LMNA (0.65) AKR1C3APPLMNAKDM4EPDE4A
SCHEMBL21957672 0.67 HDAC8 (0.58) AKR1C3PTGER4PTGER2PTGER1PTGER3
SCHEMBL8479323 0.67 TDP1 (0.53) LMNAALDH1A1HPGD
SCHEMBL3407236 0.67 PDE4A (0.55) AKR1C3APPLMNAKDM4EPDE4A

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 AKR1C3 1041/4885PTGER4 3673/4885PTGER2 4141/4885
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES GYS2, GPR119, UGGT1 AKR1C3 1041/4885PTGER4 3673/4885PTGER2 4141/4885
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES GYS2, GPR119, PYGL AKR1C3 939/4885PTGER4 3638/4885PTGER2 4109/4885
US-20060217323-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 AKR1C3 1041/4885PTGER4 3673/4885PTGER2 4141/4885

“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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