SCHEMBL15067112

SCHEMBL15067112

CCOc1cc[c]c(-c2[c]ccc(OCC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 2/20 0.38
CYP1A2 P05177 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL8532102 0.87 NQO1 (0.50) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL6194180 0.85 TTK (0.43) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL17536735 0.84 MAPT (0.39) NQO1TP53CYP3A4TSHRKMT2A
SCHEMBL15066586 0.83 KMT2A (0.42) TSHRMEN1KMT2AMAPTLTA4H
SCHEMBL6382918 0.82 CYP11B1 (0.44) NQO1TSHRTDP1NPC1KMT2A
SCHEMBL9559856 0.82 CHRNA7 (0.41) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL9701104 0.82 CYP3A4 (0.45) NQO1CYP3A4TDP1MEN1NPC1
SCHEMBL15067951 0.82 LTA4H (0.44) CYP3A4TSHRMEN1NPC1KMT2A
SCHEMBL128388 0.81 NQO1 (0.46) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL160560 0.81 NQO1 (0.46) NQO1TP53CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP claimed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP claimed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US claimed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO claimed
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP disclosed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US disclosed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP disclosed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US disclosed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO 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-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 NQO1 1509/4885TP53 1584/4885CYP3A4 427/4885

“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.