SCHEMBL21162995

SCHEMBL21162995

C=C/C=C\c1c(C)n(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6c54)n3)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23239729 0.94 KDM4E (0.33) KDM4EATML3MBTL1HSD17B10TSHR
SCHEMBL24398524 0.92 AVPR1A (0.31) HSD17B10TSHRMEN1GAAKMT2A
SCHEMBL18639104 0.91 L3MBTL1 (0.34) KDM4EATML3MBTL1KMT2A
SCHEMBL19658790 0.91 KDM4E (0.33) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL18060058 0.90 HSD17B10 (0.30) KDM4EATML3MBTL1HSD17B10TSHR
SCHEMBL20989408 0.90 AVPR1A (0.35) KDM4EATML3MBTL1KMT2A
SCHEMBL19646318 0.88 AVPR1A (0.33) KDM4EATML3MBTL1
SCHEMBL22460115 0.86 KDM4E (0.33) KDM4EATML3MBTL1MEN1GAA
SCHEMBL24802387 0.85
SCHEMBL21022951 0.84

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-10340460-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2019-07-02 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-10340460-B2 Organic electroluminescent element EML4, LAGE3, ELOC KDM4E 746/4885ATM 3518/4885L3MBTL1 278/4885

“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.