SCHEMBL1173531

SCHEMBL1173531

C(\CN(Cc1ccccc1)Cc1ccccc1)=C(\B(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
G6PC1 P35575 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEP1B Q16820 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1173532 1.00 PTPN1 (0.38) PTPN1G6PC1HSD11B1MEP1BMEN1
SCHEMBL1173533 1.00 PTPN1 (0.38) PTPN1G6PC1HSD11B1MEP1BMEN1
SCHEMBL1173760 0.79 KDM4E (0.37) OPRM1OPRD1ALDH1A1
SCHEMBL1173757 0.79 KDM4E (0.37) OPRM1OPRD1ALDH1A1
SCHEMBL1173759 0.79 KDM4E (0.37) OPRM1OPRD1ALDH1A1
SCHEMBL8983573 0.75 G6PC1 (0.47) PTPN1G6PC1MEN1KMT2ACNR2
SCHEMBL8983564 0.75 G6PC1 (0.47) PTPN1G6PC1MEN1KMT2ACNR2
SCHEMBL8983569 0.75 G6PC1 (0.47) PTPN1G6PC1MEN1KMT2ACNR2
SCHEMBL14905722 0.73 AOC3 (0.40) MEN1KMT2AALDH1A1TSHR
SCHEMBL12411286 0.71 ALDH1A1 (0.45) G6PC1CNR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436173-B2 Boron compounds, their production processes, and functional electronic devices using same KYOTO UNIVERSITY (JP) 2013-05-07 US disclosed
US-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME Kyoto University and Nippon Shokubai Co., LTD. 2011-02-24 US disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 EP disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 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-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME ETFB, SLC40A1, SLC19A1 PTPN1 2579/4885G6PC1 2243/4885HSD11B1 3133/4885

“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.