SCHEMBL21392434

SCHEMBL21392434

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5cccc6c5nc(-c5ccccc5)n6-c5ccc(-c6c7ccccc7c(-c7cccc8oc9ccccc9c78)c7ccccc67)cc5)cc34)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
CACNG2 Q9Y698 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGER4 P35408 1/20 0.31
ALOX5 P09917 1/20 0.31
PIK3R2 O00459 1/20 0.30
LMNA P02545 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL27000884 0.87 ESR1 (0.38) MAPK1HTTESR1ESR2GRIA1
SCHEMBL21392672 0.85 ESR1 (0.39) MAPK1HTTESR1ESR2GRIA1
SCHEMBL26345305 0.84 MAPK1 (0.44) MAPK1HTTESR1ESR2ALDH1A1
SCHEMBL21392435 0.83 MAPK1 (0.48) MAPK1HTTESR1ESR2GRIA1
SCHEMBL21392456 0.83 MAPK1 (0.47) MAPK1HTTESR1ESR2GRIA1
SCHEMBL21392566 0.83 ESR1 (0.50) MAPK1HTTESR1ESR2GRIA1
SCHEMBL21392557 0.82 ESR1 (0.49) MAPK1HTTESR1ESR2GRIA1
SCHEMBL26345237 0.81 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26345263 0.80 ESR1 (0.45) MAPK1HTTESR1ESR2GRIA1
SCHEMBL26345259 0.80 ESR1 (0.42) MAPK1HTTESR1ESR2GRIA1

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-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885ESR1 4/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885ESR1 4/4885

“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.