Sugi Predict

Sugi Predict / Compounds / SCHEMBL1173757

SCHEMBL1173757

SCHEMBL1173757

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL1173759 1.00 KDM4E (0.37) KDM4EHIF1AALDH1A1CYP1A2CYP3A4
SCHEMBL1173760 1.00 KDM4E (0.37) KDM4EHIF1AALDH1A1CYP1A2CYP3A4
SCHEMBL13176171 0.87 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL12884551 0.83 BCL2L1 (0.41) HIF1AALDH1A1CYP1A2CYP2D6ALOX15
SCHEMBL14922816 0.81 CA2 (0.35) HIF1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1173925 0.81 CA1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1173922 0.81 CA1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1173670 0.80 CYP1A2 (0.36) CYP1A2CYP2C19
SCHEMBL1173531 0.79 PTPN1 (0.38) ALDH1A1OPRM1OPRD1
SCHEMBL1173532 0.79 PTPN1 (0.38) ALDH1A1OPRM1OPRD1

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-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
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 KDM4E 3123/4885HIF1A 3478/4885ALDH1A1 3015/4885

“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.