SCHEMBL4889763

SCHEMBL4889763

CCOc1c(Br)cc(Br)cc1B(c1cc(Br)cc(Br)c1OCC)c1cc(Br)cc(Br)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.37
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 1/20 0.32
MITF O75030 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
SCHEMBL4354925 0.83 THRB (0.55) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7815397 0.74 LMNA (0.54) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL18871677 0.72 HSD17B10 (0.43) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL3318902 0.70 THRB (0.44) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4878679 0.69 CYP3A4 (0.32) TSHR
SCHEMBL4885878 0.69 THRB (0.42) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4882830 0.69 THRB (0.42) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4885696 0.69 LMNA (0.44) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3313015 0.69 THRB (0.42) THRBKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL941531 0.69 KMT2A (0.45) THRBKMT2AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 THRB 2185/4885KMT2A 1263/4885ALDH1A1 1928/4885

“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.