SCHEMBL21660640

SCHEMBL21660640

c1ccc2c3cn(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4c-3nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PRKDC P78527 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GGPS1 O95749 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
SCHEMBL21660571 0.92 ALOX5 (0.36) ALOX5PRKDCKDM4EPOLBCTDSP1
SCHEMBL21660638 0.89 ALOX5 (0.43) ALOX5PRKDCKDM4EPOLBCTDSP1
SCHEMBL21660572 0.80 ALOX5 (0.42) ALOX5PRKDCKDM4EPIK3CDPIK3CB
SCHEMBL22214645 0.79 KDM4E (0.56) ALOX5PRKDCKDM4EPOLBCTDSP1
SCHEMBL18552130 0.79 ALOX5 (0.47) ALOX5PRKDCGGPS1
SCHEMBL18552210 0.79 ALOX5 (0.47) ALOX5PRKDCGGPS1
SCHEMBL18552106 0.79 ALOX5 (0.47) ALOX5PRKDCGGPS1
SCHEMBL21660484 0.78 KDM4E (0.55) KDM4EPOLBCTDSP1HPGDMAPK1
SCHEMBL21660712 0.78 KDM4E (0.44) KDM4EPOLBCTDSP1ALDH1A1MAPT
SCHEMBL22483263 0.77 ALOX5 (0.52) ALOX5PRKDCKDM4EPIK3CDPIK3CB

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
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM ALOX5 2211/4885PRKDC 3250/4885KDM4E 1917/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALOX5 2211/4885PRKDC 3250/4885KDM4E 1917/4885

“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.