SCHEMBL3274513

SCHEMBL3274513

OB(c1cc[c]cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.76
ORAI1 Q96D31 4/20 0.76
ORAI2 Q96SN7 4/20 0.76
ORAI3 Q9BRQ5 4/20 0.76
MGLL Q99685 2/20 0.57
KIF11 P52732 5/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PCSK9 Q8NBP7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
PLAU P00749 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL2406706 0.87 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL3275158 0.79 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL12270441 0.78 TRPV6 (0.79) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL2406670 0.76 TRPV6 (0.76) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL4124 0.75 ALDH1A1 (0.50) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL4179 0.73 MGLL (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL3274509 0.73 TRPV6 (0.61) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL28818315 0.73 ALDH1A1 (0.48) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL21777186 0.73 ALDH1A1 (0.48) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL20774399 0.73 ALDH1A1 (0.48) TRPV6ORAI1ORAI2ORAI3MGLL

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.