SCHEMBL21421135

SCHEMBL21421135

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3cccnc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.41
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC2A1 P11166 1/20 0.38
MAP2K4 P45985 1/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
G6PD P11413 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL29996415 1.00 PDE5A (0.41) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL20937533 0.91 PDE5A (0.43) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL21408005 0.90 MAPT (0.46) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL20937381 0.89 PDE5A (0.43) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL20937539 0.88 MAPT (0.42) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL21421139 0.86 MEN1 (0.34) MAPTNPC1TP53RAB9AKDM4E
SCHEMBL29996396 0.86 MEN1 (0.34) MAPTNPC1TP53RAB9AKDM4E
SCHEMBL20937820 0.86 PDE5A (0.43) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL20937380 0.86 PDE5A (0.41) PDE5AMAPTNPC1TP53RAB9A
SCHEMBL29997134 0.85 ALDH1A1 (0.42) MAPTKDM4EHTTALDH1A1MEN1

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-20190300508-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-10-03 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-20190300508-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 PDE5A 3454/4885MAPT 112/4885NPC1 684/4885

“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.