SCHEMBL12318796

SCHEMBL12318796

C=c1/c(=C\C=C\B(O)c2ccccc2)sc2ccc(B(O)c3ccccc3)cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 3/20 0.33
▸ ORAI1 Q96D31 2/20 0.33
▸ ORAI2 Q96SN7 2/20 0.33
▸ ORAI3 Q9BRQ5 2/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33

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
SCHEMBL2406507 0.73 TRPV6 (0.54) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL16632985 0.64 GPR3 (0.54) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL20401819 0.60 GPR3 (0.39) —
SCHEMBL2412647 0.60 TRPV6 (0.93) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2406124 0.58 TRPV6 (0.78) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL40601 0.58 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL24426308 0.57 GPR3 (0.43) —
SCHEMBL2406379 0.56 TRPV6 (0.82) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL28080639 0.56 TRPV6 (0.93) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL17698481 0.55 TRPV6 (0.70) TRPV6ORAI1ORAI2ORAI3PCSK9

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-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

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.

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