SCHEMBL12871192

SCHEMBL12871192

O=C1C=C(c2ccccc2)C2C=CC=CC2N1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
BTK Q06187 1/20 0.30

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
SCHEMBL12871198 0.69
SCHEMBL28403452 0.68 CFTR (0.49) CFTRGOPC
SCHEMBL12885047 0.66
SCHEMBL6101923 0.63
SCHEMBL10080214 0.63 TSHR (0.41)
SCHEMBL24727347 0.62 KDM4E (0.41)
SCHEMBL13639413 0.62 CHRNB2 (0.36)
SCHEMBL20634086 0.62 KDM4E (0.39)
SCHEMBL21740555 0.62 CHRNB2 (0.36)
SCHEMBL23096935 0.61

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 5 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-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
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 CFTR 2644/4885GOPC 2037/4885CA12 2050/4885

“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.