SCHEMBL16639874

SCHEMBL16639874

Cc1c(O)c(C)c(C#N)c(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
UPP1 Q16831 3/20 0.34
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
HSD17B3 P37058 1/20 0.32
ATM Q13315 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
SCHEMBL21884023 0.89 KDM4E (0.36) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL21425811 0.88 KDM4E (0.39) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL23638562 0.86 KDM4E (0.37) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL23638559 0.86 KDM4E (0.37) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL4632645 0.84 ALDH1A1 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL23638823 0.82 KDM4E (0.39) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL23031757 0.79 KDM4E (0.40) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL23638802 0.78 KDM4E (0.36) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL22736981 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL13387595 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2017-09-07 US disclosed
US-9502668-B2 Organic light-emitting device, and light-emitting material and compound used therefor KYULUX, INC. (JP) 2016-11-22 US disclosed
US-20150105564-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2015-04-16 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-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR CRY1, WEE1, OR51E2 KDM4E 3233/4885ALDH1A1 80/4885MEN1 732/4885

“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.