SCHEMBL19626581

SCHEMBL19626581

CCOc1ccc(-c2coc(C)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.66
TP53 P04637 4/20 0.65
POLB P06746 1/20 0.65
THRB P10828 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ENPP1 P22413 4/20 0.65
MAPT P10636 2/20 0.58
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NQO1 P15559 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL6326200 0.83 ENPP3 (0.60) ENPP3TP53POLBTHRBTDP1
SCHEMBL27988175 0.82 TP53 (0.48) ENPP3TP53POLBTHRBTDP1
SCHEMBL201523 0.81 ENPP3 (0.96) ENPP3TP53POLBTHRBTDP1
SCHEMBL19625391 0.80 TP53 (0.46) ENPP3TP53POLBTHRBTDP1
SCHEMBL12112408 0.76 ENPP3 (0.96) ENPP3TP53POLBTHRBENPP1
SCHEMBL2056108 0.75 TP53 (0.69) ENPP3TP53POLBTHRBTDP1
SCHEMBL6527993 0.75 MEN1 (0.50) ENPP3TP53POLBTHRBTDP1
Ammonia Solution, Strong SCHEMBL28862464 0.74 ENPP3 (0.92) ENPP3TP53POLBTHRBTDP1
SCHEMBL6996945 0.73 ENPP3 (0.60) ENPP3TP53POLBTHRBTDP1
SCHEMBL12243297 0.73 PLA2G4B (0.52) ENPP3TP53ENPP1NPC1KDM4E

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ENPP3 570/4885TP53 2830/4885POLB 1739/4885

“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.