SCHEMBL21446293

SCHEMBL21446293

CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.34
ALOX5 P09917 1/20 0.33
ALK Q9UM73 7/20 0.32
AHR P35869 1/20 0.32
PGR P06401 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
MAOA P21397 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
SCHEMBL21446317 0.96 ALOX5 (0.36) PRKDCALOX5ALKAHRPGR
SCHEMBL26064945 0.95 PRKDC (0.33) PRKDCALOX5ALKAHRPGR
SCHEMBL21446298 0.94 HSP90AA1 (0.34) ALOX5ALKPGRMEN1MAPT
SCHEMBL23376321 0.94 ALK (0.34) PRKDCALOX5ALKAHRPGR
SCHEMBL21446295 0.93 PRKDC (0.32) PRKDCALOX5ALKHCRTR1
SCHEMBL21446663 0.93 PRKDC (0.32) PRKDCALOX5ALKHCRTR1
SCHEMBL21446331 0.93 ALK (0.33) PRKDCALOX5ALK
SCHEMBL23375943 0.93 ALOX5 (0.33) PRKDCALOX5AHRPGRMEN1
SCHEMBL23376329 0.93 ALOX5 (0.34) PRKDCALOX5ALKAHRPGR
SCHEMBL23376023 0.92 HCRTR1 (0.32) PRKDCALOX5HCRTR1

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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 US disclosed
WO-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 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 (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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES PRKDC 1765/4885ALOX5 2210/4885ALK 1411/4885

“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.