SCHEMBL23219858

SCHEMBL23219858

C=CB(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.50
ORAI1 Q96D31 3/20 0.50
ORAI2 Q96SN7 3/20 0.50
ORAI3 Q9BRQ5 3/20 0.50
PCSK9 Q8NBP7 2/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
ENPP2 Q13822 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MGLL Q99685 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 3/20 0.37
AKT1 P31749 1/20 0.36
ALOX15 P16050 1/20 0.33
MEN1 O00255 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
SCHEMBL4838180 0.73 NAPRT (0.38) ALDH1A1ALOX15LMNAKMT2A
SCHEMBL1474212 0.72 ORAI1 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28220874 0.72 ALDH1A1 (0.36) TRPV6ORAI1ORAI2ORAI3PCSK9
Ammonia Solution, Strong SCHEMBL9784059 0.70 ORAI1 (0.39) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL393925 0.69 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
Phenylboronic Acid SCHEMBL28945198 0.69 CA4 (0.64) TRPV6ORAI1ORAI2ORAI3PCSK9
Phenylboronic Acid SCHEMBL28942584 0.69 ENPP2 (0.64) TRPV6ORAI1ORAI2ORAI3PCSK9
Phenylboronic Acid SCHEMBL4453 0.67
Phenylboronic Acid SCHEMBL8628436 0.67 ENPP2 (1.00) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL40601 0.67 TRPV6 (1.00) 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 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.