SCHEMBL3274591

SCHEMBL3274591

[CH2]COc1ccc(B(O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 0.54
ORAI1 Q96D31 5/20 0.54
ORAI2 Q96SN7 5/20 0.54
ORAI3 Q9BRQ5 5/20 0.54
PCSK9 Q8NBP7 1/20 0.54
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ENPP2 Q13822 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL2403555 0.82 KCNA3 (0.58) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2412463 0.79 LMNA (0.58) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL6664482 0.78 LTA4H (0.59) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL6059706 0.77 CYP1A2 (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3274847 0.76 RAB9A (0.33) ALDH1A1
SCHEMBL933 0.76
SCHEMBL2412647 0.76 TRPV6 (0.93) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL10269840 0.75 CA1 (0.72) TRPV6ORAI1ORAI2ORAI3PCSK9
Hydrochloric Acid SCHEMBL27692384 0.74 KCNA3 (0.55) LMNACYP2C19HDAC6ALDH1A1RECQL
SCHEMBL4707838 0.73 NQO1 (0.47) CA1CA2CA7LMNACYP1A2

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TRPV6 61/4885ORAI1 58/4885ORAI2 414/4885

“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.