SCHEMBL21392590

SCHEMBL21392590

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c5c4)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK10 P53779 3/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL23022724 0.96 MAPK1 (0.51) ESR1ESR2MAPK1HTTPIK3CD
SCHEMBL25668147 0.95 ESR1 (0.52) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL17932821 0.95 ESR1 (0.52) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL20906742 0.95 ESR1 (0.52) ESR1ESR2PIK3CDPIK3CAMTOR
SCHEMBL12571637 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL29444815 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTPIK3CD
SCHEMBL25668125 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTPIK3CD
SCHEMBL23784952 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTPIK3CD
SCHEMBL3741033 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTPIK3CD
SCHEMBL10353327 0.94 ESR1 (0.53) ESR1ESR2MAPK1HTTPIK3CD

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-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 (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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 ESR1 4/4885ESR2 33/4885MAPK1 4606/4885

“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.