SCHEMBL974659

SCHEMBL974659

OB(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 0.52
ORAI1 Q96D31 5/20 0.52
ORAI2 Q96SN7 5/20 0.52
ORAI3 Q9BRQ5 5/20 0.52
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PCSK9 Q8NBP7 1/20 0.38
ENPP2 Q13822 1/20 0.35
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL12266213 0.87 TRPV6 (0.64) TRPV6ORAI1ORAI2ORAI3CES2
SCHEMBL128893 0.84 ENPP2 (0.46) TRPV6ORAI1ORAI2ORAI3CES2
SCHEMBL19712775 0.83 ORAI1 (0.41) TRPV6ORAI1ORAI2ORAI3CES2
SCHEMBL28490899 0.82 ENPP2 (0.44) TRPV6ORAI1ORAI2ORAI3CES2
SCHEMBL2399046 0.81 ORAI1 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL14459947 0.80 CES2 (0.38) TRPV6ORAI1ORAI2ORAI3CES2
SCHEMBL2407029 0.78 TRPV6 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1138283 0.78 TRPV6 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2407140 0.78 ORAI1 (0.46) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL18955000 0.78 CES2 (0.39) TRPV6ORAI1ORAI2ORAI3CES2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8455689-B2 Process for preparing substituted biphenylanilides BAYER CROPSCIENCE AG (DE) 2013-06-04 US disclosed
EP-2257530-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-10-12 EP disclosed
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110092736-A1 Process for Preparing Substituted Biphenylanilides BAYER CROPSCIENCE AG (DE) 2011-04-21 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
EP-2119697-A1 Process for preparing substituted biphenylanilides Bayer CropScience AG (DE) 2009-11-18 EP disclosed
WO-2009135598-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES BAYER CROPSCIENCE AG 2009-11-12 WO disclosed
EP-2093216-A1 Process for preparing substituted biphenylanilides Bayer CropScience AG (DE) 2009-08-26 EP disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 TRPV6 3011/4885ORAI1 4470/4885ORAI2 4289/4885
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TRPV6 2783/4885ORAI1 4540/4885ORAI2 4732/4885
US-20110092736-A1 Process for Preparing Substituted Biphenylanilides CYP1B1, DDT, ABL1 TRPV6 2404/4885ORAI1 4097/4885ORAI2 3711/4885

“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.