SCHEMBL23219857

SCHEMBL23219857

OB(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.79
ORAI1 Q96D31 4/20 0.79
ORAI2 Q96SN7 4/20 0.79
ORAI3 Q9BRQ5 4/20 0.79
CYP1A2 P05177 1/20 0.65
MGLL Q99685 3/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 1/20 0.58
PCSK9 Q8NBP7 1/20 0.54
ENPP2 Q13822 1/20 0.50
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTRC Q99895 1/20 0.43
TSHR P16473 1/20 0.42
CNR1 P21554 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
ESR2 Q92731 1/20 0.41

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
Boric Acid SCHEMBL29051220 0.86 CYP1A2 (0.79) TRPV6ORAI1ORAI2ORAI3CYP1A2
SCHEMBL2407457 0.86 TRPV6 (0.74) TRPV6ORAI1ORAI2ORAI3CYP1A2
SCHEMBL1138482 0.83 TRPV6 (0.80) TRPV6ORAI1ORAI2ORAI3CA1
SCHEMBL4454036 0.81 CYP1A2 (1.00) CYP1A2KDM4ELMNAGAAL3MBTL1
SCHEMBL183912 0.81 CYP1A2 (1.00) CYP1A2KDM4ELMNAGAAL3MBTL1
SCHEMBL23219856 0.78 TRPV6 (0.70) TRPV6ORAI1ORAI2ORAI3MGLL
Water SCHEMBL6336149 0.78 CYP1A2 (0.94) CYP1A2KDM4ELMNAGAAL3MBTL1
Water SCHEMBL10875875 0.78 CYP1A2 (0.94) CYP1A2KDM4ELMNAGAAL3MBTL1
Hydrogen Sulfide SCHEMBL7195075 0.78 CYP1A2 (0.94) CYP1A2KDM4ELMNAGAAL3MBTL1
Phosphine SCHEMBL5144006 0.78 CYP1A2 (0.94) CYP1A2KDM4ELMNAGAAL3MBTL1

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.