SCHEMBL21392677

SCHEMBL21392677

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5ccccc5c34)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 1/20 0.34
PTAFR P25105 1/20 0.34
POLB P06746 2/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
NPC1 O15118 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL21392577 0.93 MAPK1 (0.46) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21392547 0.91 MAPK1 (0.46) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21392433 0.89 PDE10A (0.38) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21392436 0.89 ESR1 (0.47) MAPK1HTTALDH1A1KDM4ECYP1A2
SCHEMBL21392584 0.88 MAPK1 (0.50) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL20127752 0.88 MAPK1 (0.47) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21392437 0.86 MAPK1 (0.34) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL17246965 0.86 MAPK1 (0.45) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL17246877 0.85 MAPK1 (0.47) MAPK1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL17246907 0.85 MAPK1 (0.44) MAPK1HTTALDH1A1SMN1; SMN2KDM4E

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 2428/4885ALDH1A1 567/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885ALDH1A1 567/4885

“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.