SCHEMBL802058

SCHEMBL802058

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL803028 0.99 TSPO (0.31) TSPOKDM4EATML3MBTL1
SCHEMBL14960716 0.96 PDK2 (0.33) TSPO
SCHEMBL801982 0.96 PDK2 (0.31)
SCHEMBL782648 0.96 PDK2 (0.32) TSPO
SCHEMBL27111406 0.96 PDK2 (0.30) TSPOKDM4EATML3MBTL1
SCHEMBL14960715 0.95 PDK2 (0.33) TSPO
SCHEMBL14960705 0.95 PGR (0.30)
SCHEMBL16605624 0.95 TSPO (0.34) TSPOKDM4EATML3MBTL1
SCHEMBL9916272 0.95 TSPO (0.34) TSPOKDM4EATML3MBTL1
SCHEMBL14960722 0.94 PDK2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102061-A1 INK COMPOSITION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 TSPO 191/4885KDM4E 1899/4885ATM 4259/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 TSPO 191/4885KDM4E 1899/4885ATM 4259/4885

“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.