SCHEMBL3780947

SCHEMBL3780947

CC(C)(C)Oc1ccccc1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.59
LIPE Q05469 2/20 0.48
ORAI1 Q96D31 1/20 0.47
ORAI2 Q96SN7 1/20 0.47
ORAI3 Q9BRQ5 1/20 0.47
KCNH2 Q12809 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ELANE P08246 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL7777059 0.89 ORAI1 (0.61) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL3790166 0.82 ENPP2 (0.44) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL264406 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29417492 0.81 ENPP2 (0.57) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL3790958 0.80 ENPP2 (0.42) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL3787007 0.78 ENPP2 (0.39) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29428931 0.78 CA1 (0.45) ENPP2ORAI1ORAI2ORAI3KCNH2
SCHEMBL3820431 0.78 CA1 (0.45) ENPP2ORAI1ORAI2ORAI3KCNH2
SCHEMBL23807 0.75 ENPP2 (1.00) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29466484 0.75 ENPP2 (1.00) ENPP2LIPEORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885LIPE 521/4885ORAI1 2434/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 ENPP2 1338/4885LIPE 3094/4885ORAI1 2569/4885

“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.