SCHEMBL23917306

SCHEMBL23917306

c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc23)nc2ccccn24)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.42
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 8/20 0.42
GLA P06280 7/20 0.42
HPGD P15428 5/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
USP7 Q93009 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
PABPC1 P11940 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
SCHEMBL23917331 0.85 ALDH1A1 (0.47) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917126 0.83 KDM4E (0.45) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917366 0.83 ALDH1A1 (0.42) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917357 0.82 KDM4E (0.48) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917329 0.79 KDM4E (0.45) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917372 0.78 ALDH1A1 (0.42) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917075 0.74 KDM4E (0.45) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL21622976 0.73 KDM4E (0.51) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL23917332 0.71 KDM4E (0.47) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL21622883 0.71 KDM4E (0.47) GAAKDM4EALDH1A1GLAHPGD

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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 (2 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM GAA 2390/4885KDM4E 2132/4885ALDH1A1 504/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM GAA 2390/4885KDM4E 2132/4885ALDH1A1 504/4885

“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.