SCHEMBL4889433

SCHEMBL4889433

CCOc1cc(F)c(B(c2c(F)cc(OCC)cc2F)c2c(F)cc(OCC)cc2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
PTGS2 P35354 1/20 0.35
LTA4H P09960 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SYK P43405 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 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
SCHEMBL15872825 0.83 NQO1 (0.39) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL15710186 0.79 NQO1 (0.48) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL15086896 0.77 NQO1 (0.46) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL15086897 0.76 NQO1 (0.44) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL8683502 0.76 TSHR (0.46) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL19398046 0.76 NQO1 (0.44) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL17543789 0.76 NQO1 (0.44) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL4889409 0.75 TAAR1 (0.48) CYP3A4PKM
SCHEMBL4889777 0.74 NQO1 (0.42) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL4878664 0.74 NQO1 (0.42) NQO1TSHRTDP1TP53CYP3A4

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 NQO1 3103/4885TSHR 3726/4885TDP1 3147/4885

“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.