SCHEMBL9013589

SCHEMBL9013589

Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
PREP P48147 4/20 0.42
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
MAPT P10636 1/20 0.30
DRD2 P14416 1/20 0.30
HPGD P15428 1/20 0.30
NQO2 P16083 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL3690504 0.85 CA12 (0.47) CA12CA1CA9PREPNPC1
SCHEMBL12731852 0.85 CA12 (0.50) CA12CA1CA9PREPNPC1
SCHEMBL2090369 0.83 CA12 (0.49) CA12CA1CA9PREPHSP90AA1
SCHEMBL6765739 0.81 CA12 (0.47) CA12CA1CA9PREPNPC1
SCHEMBL5239641 0.80 CA12 (0.46) CA12CA1CA9PREPNPC1
SCHEMBL5517481 0.80 CA12 (0.46) CA12CA1CA9PREP
SCHEMBL30629801 0.80 CA12 (0.46) CA12CA1CA9PREPNPC1
SCHEMBL14992681 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL2313565 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL15124366 0.80 CA1 (0.46) CA12CA1CA9PREPHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668152-B1 BICYCLIC TRAMADOL DERIVATIVES FOR CONTROLLING PAIN LILLY CO ELI (US) 2016-10-12 EP disclosed
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8802728-B2 Analgesic compounds, methods, and formulations ELI LILLY AND COMPANY (US) 2014-08-12 US disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 EP disclosed
US-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS ELI LILLY AND COMPANY (US) 2013-08-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-5536745-A (Hetero)-aryl ketones derivatives with antibacterial properties SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-16 US disclosed
EP-0652875-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1995-05-17 EP disclosed
WO-1994002478-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1994-02-03 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 (3 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-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 CA12 4396/4885CA1 4091/4885CA9 3645/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 CA12 2179/4885CA1 2413/4885CA9 2055/4885
US-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS OPRL1, OPRK1, OPRM1 CA12 1056/4885CA1 573/4885CA9 743/4885

“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.