SCHEMBL21622698

SCHEMBL21622698

c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccccc4)nc4cn5c(cc43)nc3ccccc35)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 4/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
PDE6D O43924 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALK Q9UM73 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL23917086 0.90 ESR1 (0.42) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL24489653 0.86 ESR1 (0.33) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL23917375 0.86 ALDH1A1 (0.44) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL15746080 0.82 ESR1 (0.58) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL21622705 0.80 ALK (0.37) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL21622696 0.79 ALK (0.36) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL23917382 0.76 ALDH1A1 (0.44) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL23917122 0.76 KDM4E (0.52) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL65344 0.74 ESR1 (0.63) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL23917339 0.74 KDM4E (0.46) ESR1ESR2ALDH1A1KDM4EHPGD

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-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
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO 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 ESR1 113/4885ESR2 356/4885ALDH1A1 504/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ESR1 113/4885ESR2 356/4885ALDH1A1 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.