SCHEMBL3787007

SCHEMBL3787007

CC(C)(C)Oc1cccc(OC(C)(C)C)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.39
KCNH2 Q12809 1/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LIPE Q05469 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3780947 0.78 ENPP2 (0.59) ENPP2KCNH2ORAI1ORAI2ORAI3
SCHEMBL3790166 0.78 ENPP2 (0.44) ENPP2KCNH2ORAI1ORAI2ORAI3
SCHEMBL7777059 0.77 ORAI1 (0.61) ENPP2KCNH2ORAI1ORAI2ORAI3
SCHEMBL3790958 0.76 ENPP2 (0.42) ENPP2KCNH2ORAI1ORAI2ORAI3
SCHEMBL7227159 0.75 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL5008996 0.75 ALDH1A1 (0.44) KCNH2KDM4EALDH1A1HSD17B10LMNA
SCHEMBL203282 0.75 ENPP2 (0.60) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL3820431 0.73 CA1 (0.45) ENPP2KCNH2ORAI1ORAI2ORAI3
SCHEMBL29428931 0.73 CA1 (0.45) ENPP2KCNH2ORAI1ORAI2ORAI3
Magnesium Chloride Anhydrous SCHEMBL20694977 0.72 ENPP2 (0.52) ENPP2ORAI1ORAI2ORAI3KDM4E

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 2 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
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885KCNH2 1145/4885ORAI1 2434/4885

“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.