SCHEMBL4084548

SCHEMBL4084548

CCCCOc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
THRA P10827 1/20 0.44
LPL P06858 5/20 0.43
LIPG Q9Y5X9 5/20 0.43
LTA4H P09960 1/20 0.43
NR5A1 Q13285 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL29954116 0.97 NR5A1 (0.49) CA1CA2CA12CA3CA4
SCHEMBL4748948 0.95 NR5A1 (0.51) CA1CA2THRALPLLIPG
SCHEMBL8505542 0.95 NR5A1 (0.51) CA1CA2THRALPLLIPG
SCHEMBL4748959 0.95 NR5A1 (0.51) CA1CA2THRALPLLIPG
SCHEMBL5854005 0.86 CA1 (0.48) CA1CA2CA12CA9
SCHEMBL8514 0.86 CA1 (0.52) CA1CA2CA12CA4CA6
SCHEMBL29953867 0.86 CA1 (0.52) CA1CA2CA12CA4CA6
SCHEMBL2559249 0.85 CA1 (0.47) CA1CA2
SCHEMBL9986418 0.84 CA1 (0.50) CA1CA2CA12CA4CA9
SCHEMBL623764 0.83 CA1 (0.57) CA1CA2LPLLIPGLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784055-A1 Fluoroform synthesis and uses thereof in the preparation of trifluoromethylated compounds Institut National des Sciences Appliquées de Rouen (INSA) (FR) 2014-10-01 EP disclosed
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed
EP-0531475-B1 NAPHTHYL ORGANIC COMPOUNDS QINETIQ LTD (GB) 2002-08-28 EP disclosed
US-20020011588-A1 Naphthyl organic compounds QINETIQ LIMITED (GB) 2002-01-31 US disclosed
US-6291034-B1 LIQUID CRYSTALLINE MATERIAL THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-09-18 US disclosed
US-5820781-A Naphthyl organic compounds THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTHERN IRELAND (GB) 1998-10-13 US disclosed
US-5496500-A LIQUID CRYSTALS; ELECTROOPTICS DISPLAY DEVICES; DROPLETS DISPERSED IN TRANSPARENT POLYMER MATRIX THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTHERN IRELAND (GB) 1996-03-05 US disclosed
EP-0531475-A1 NAPHTHYL ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1993-03-17 EP disclosed
WO-1992016500-A1 NAPHTHYL ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-10-01 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CA1 3293/4885CA2 1269/4885CA12 3384/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CA1 3295/4885CA2 1341/4885CA12 3349/4885

“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.