SCHEMBL17430396

SCHEMBL17430396

CC1(C)CC2(CC(C)(C)c3cc(Oc4cccc(Oc5cccc(N)c5)c4C#N)c(Oc4cccc(Oc5cccc(N)c5)c4C#N)cc32)c2cc(Oc3cccc(Oc4cccc(N)c4)c3C#N)c(Oc3cccc(Oc4cccc(N)c4)c3C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAOB P27338 1/20 0.35
GAA P10253 2/20 0.34
ATM Q13315 1/20 0.34
AS3MT Q9HBK9 1/20 0.33
POLB P06746 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.31
EPAS1 Q99814 1/20 0.31
LTA4H P09960 1/20 0.31
EZH2 Q15910 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 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
SCHEMBL18183535 0.85 MEN1 (0.42) ALDH1A1GAAPOLBMAPTSMN1; SMN2
SCHEMBL17430390 0.84 MAPT (0.39) ALDH1A1GAAPOLBMAPTTP53
SCHEMBL17430346 0.83 GAA (0.37) ALDH1A1GAAPOLBMAPTSMN1; SMN2
SCHEMBL18914474 0.83 MAPT (0.36) ALDH1A1MAPTTP53EZH2HPGD
SCHEMBL18183534 0.82 GAA (0.39) ALDH1A1GAAPOLBMAPTSMN1; SMN2
SCHEMBL18914618 0.82 MEN1 (0.33) GAAPOLBMAPT
SCHEMBL22163196 0.81 ALDH1A1 (0.37) ALDH1A1MAOBGAAPOLBMAPT
SCHEMBL17085525 0.81 MAOB (0.52) ALDH1A1CYP3A4MAOBGAAATM
SCHEMBL18914614 0.81 MAPT (0.35) ALDH1A1CYP3A4MAPTTP53EZH2
SCHEMBL18914613 0.81 POLB (0.33) GAAPOLBMAPTEZH2

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
US-20170154782-A1 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2017-06-01 US disclosed
US-20160011512-A1 COMPOSITION, METHOD FOR PRODUCING PATTERNED SUBSTRATE, FILM AND FORMING METHOD THEREOF, AND COMPOUND JSR CORPORATION (JP) 2016-01-14 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-20160011512-A1 COMPOSITION, METHOD FOR PRODUCING PATTERNED SUBSTRATE, FILM AND FORMING METHOD THEREOF, AND COMPOUND PKN2, FOXK1, SPIN1 ALDH1A1 1624/4885CYP3A4 974/4885MAOB 1118/4885

“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.