SCHEMBL1173183

SCHEMBL1173183

Clc1ccc([B-](C#C[n+]2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
PABPC1 P11940 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
TSHR P16473 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31

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
SCHEMBL1173646 0.84
SCHEMBL1173292 0.67 KMT2A (0.36) PABPC1LMNATSHR
SCHEMBL9505075 0.59 PABPC1 (0.41) CYP1A2PABPC1LMNATSHR
SCHEMBL20841978 0.59 CYP1A2 (0.57) CYP1A2LMNAGAATSHRCES2
SCHEMBL5972567 0.59 CYP1A2 (0.57) CYP1A2LMNAGAATSHRCES2
SCHEMBL15720578 0.57 TSHR (0.43) CYP1A2PABPC1LMNAGAAHPGD
Biphenyl SCHEMBL27859632 0.57 CYP1A2 (0.93) CYP1A2LMNAGAATSHRCES2
SCHEMBL337270 0.57 LMNA (0.57) CYP1A2LMNAHPGDTSHRCES2
Hydrochloric Acid SCHEMBL17259945 0.56 TSHR (0.41) CYP1A2PABPC1LMNAGAAHPGD
Hydrochloric Acid SCHEMBL17259914 0.56 TSHR (0.41) CYP1A2PABPC1LMNAGAAHPGD

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 3 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

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 CYP1A2 3205/4885PABPC1 1876/4885LMNA 4787/4885

“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.