SCHEMBL23219856

SCHEMBL23219856

OB(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 0.70
ORAI1 Q96D31 5/20 0.70
ORAI2 Q96SN7 5/20 0.70
ORAI3 Q9BRQ5 5/20 0.70
MGLL Q99685 3/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 1/20 0.58
PCSK9 Q8NBP7 1/20 0.54
BCL2L1 Q07817 2/20 0.43
BAD Q92934 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP3 P08254 1/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALDH1A3 P47895 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2407457 0.86 TRPV6 (0.74) TRPV6ORAI1ORAI2ORAI3MGLL
Boric Acid SCHEMBL6658261 0.86 MGLL (0.54) TRPV6ORAI1ORAI2ORAI3MGLL
Boric Acid SCHEMBL28048955 0.86 MGLL (0.54) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL1003006 0.83 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL12444110 0.81 ALDH1A1 (0.60) BCL2L1BADMEN1POLBKMT2A
SCHEMBL412237 0.81 ALDH1A1 (0.60) BCL2L1BADMEN1POLBKMT2A
SCHEMBL7938359 0.81 ALDH1A1 (0.60) BCL2L1BADMEN1POLBKMT2A
SCHEMBL23219879 0.80 CA1 (0.48) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL23219857 0.78 TRPV6 (0.79) TRPV6ORAI1ORAI2ORAI3MGLL
Water SCHEMBL6337149 0.78 ALDH1A1 (0.56) BCL2L1BADMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase THE PENN STATE RESEARCH FOUNDATION (US) 2021-04-13 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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase PTPRO, PTPRR, PPP1R1B TRPV6 1500/4885ORAI1 3960/4885ORAI2 3409/4885

“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.