SCHEMBL6246558

SCHEMBL6246558

OB(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.52
ORAI1 Q96D31 4/20 0.52
ORAI2 Q96SN7 4/20 0.52
ORAI3 Q9BRQ5 4/20 0.52
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PCSK9 Q8NBP7 1/20 0.36
ERN1 O75460 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL2406407 0.82 ORAI1 (0.42) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL124847 0.81 CA1 (0.45) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL16812679 0.77 CA12 (0.41) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL125969 0.73 CA12 (0.42) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL1804144 0.73 ORAI1 (0.43) TRPV6ORAI1ORAI2ORAI3CA1
SCHEMBL1493119 0.71 CA12 (0.40) CA12CA1CA9CES2CES1
SCHEMBL29229465 0.71 CA12 (0.40) CA12CA1CA9CES2CES1
SCHEMBL24109422 0.71 CA12 (0.36) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL28258396 0.71 CA12 (0.36) TRPV6ORAI1ORAI2ORAI3CA12
SCHEMBL24426677 0.71 CES2 (0.37) TRPV6ORAI1ORAI2ORAI3CA12

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
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-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
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
US-6933354-B2 Aluminoboronate activators for single-site olefin polymerization catalysts EQUISTAR CHEMICALS, LP (US) 2005-08-23 US disclosed
EP-1392738-B1 ALUMINOBORANATE ACTIVATORS FOR SINGLE-SITE OLEFIN POLYMERIZATION CATALYSTS EQUISTAR CHEM LP (US) 2005-08-03 EP disclosed
US-20040181017-A1 Aluminoboronate activators for single-site olefin polymerization catalysts EQUISTAR CHEMICALS, LP 2004-09-16 US disclosed
US-6759361-B2 A SUPPORTED CATALYTIC ORGANOMETALLIC COMPLEX OF A TRANSITION METAL, INDENOINDOLYL LIGAND AND THE ACTIVATOR, A REACTION PRODUCT OF ALKYLALUMINUM COMPOUND AND AN ORGANIC-BORONIC ACID; NARROW MOLECULAR WEIGHT DISTRIBUTION; LOW DENSITY EQUISTAR CHEMICALS, LP 2004-07-06 US disclosed
EP-1392738-A1 ALUMINOBORANATE ACTIVATORS FOR SINGLE-SITE OLEFIN POLYMERIZATION CATALYSTS Equistar Chemicals, LP (US) 2004-03-03 EP disclosed
US-20030004052-A1 Aluminoboronate activators for single-site olefin polymerization catalysts EQUISTAR CHEMICALS, LP 2003-01-02 US disclosed
WO-2002098930-A1 ALUMINOBORANATE ACTIVATORS FOR SINGLE-SITE OLEFIN POLYMERIZATION CATALYSTS EQUISTAR CHEMICALS, LP (US) 2002-12-12 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 (1 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885

“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.