SCHEMBL17034591

SCHEMBL17034591

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PRKDC P78527 5/20 0.36
GGPS1 O95749 1/20 0.32
DUSP3 P51452 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
ATM Q13315 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
SCHEMBL18858220 0.94 ALOX5 (0.36) ALOX5PRKDC
SCHEMBL18562971 0.93 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL17034818 0.92 ALOX5 (0.36) ALOX5PRKDCATM
SCHEMBL17034823 0.90 ALOX5 (0.39) ALOX5PRKDCGGPS1PTGES2
SCHEMBL15462307 0.90 ALOX5 (0.39) ALOX5PRKDCGGPS1DUSP3
SCHEMBL18562977 0.89 ALOX5 (0.42) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL17034599 0.89 ALOX5 (0.39) ALOX5PRKDCGGPS1
SCHEMBL17034564 0.89 ALOX5 (0.43) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL15804126 0.89 ALOX5 (0.38) ALOX5PRKDCGGPS1
SCHEMBL17279379 0.88 ALOX5 (0.39) ALOX5PRKDCGGPS1DUSP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11245079-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-02-08 US disclosed
US-20190280217-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
EP-3107977-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-20170062732-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
US-20170062732-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
WO-2015124255-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-08-27 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 (3 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-20170062732-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALOX5 2060/4885PRKDC 3186/4885GGPS1 1327/4885
US-11245079-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM ALOX5 2060/4885PRKDC 3186/4885GGPS1 1327/4885
US-20190280217-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALOX5 2060/4885PRKDC 3186/4885GGPS1 1327/4885

“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.