SCHEMBL19684429

SCHEMBL19684429

COCc1cccc(COCc2ccc(OC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 6/20 0.49
IDO1 P14902 4/20 0.48
AGXT P21549 4/20 0.48
LTA4H P09960 1/20 0.48
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ABCB1 P08183 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL29442637 0.86 TDP1 (0.48) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL12951814 0.86 TDP1 (0.48) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL28360324 0.86 TDP1 (0.48) TDP1L3MBTL1MAOBIDO1AGXT
Anisole SCHEMBL14879816 0.83 TSHR (0.60) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL12526332 0.83 MAOB (0.62) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL5250014 0.83 APP (0.53) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL4507875 0.83 APP (0.53) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL10820376 0.83 MAOB (0.67) TDP1MAOBRAB9ATP53PKM
SCHEMBL28551906 0.83 LTA4H (0.69) TDP1L3MBTL1MAOBIDO1AGXT
SCHEMBL6429953 0.83 LTA4H (0.69) TDP1L3MBTL1MAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349520-A1 SINGLY PROTECTED 2,2' -DIHYDROXYBIARYLS EVONIK DEGUSSA GMBH (DE) 2017-12-07 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-20170349520-A1 SINGLY PROTECTED 2,2' -DIHYDROXYBIARYLS DBH, COMT, DRD2 TDP1 2320/4885L3MBTL1 2683/4885MAOB 29/4885

“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.