SCHEMBL782265

SCHEMBL782265

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5C(=O)O)C(C)(C)c4ccccc4-6)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 2/20 0.36
▸ PDK2 Q15119 9/20 0.33
▸ NR4A2 P43354 2/20 0.32
▸ ICMT O60725 1/20 0.32
▸ PTGES2 Q9H7Z7 4/20 0.31
▸ PTGES O14684 2/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL783318 0.88 NR1H2 (0.36) TSPOPDK2PTGES2PTGESTBXAS1
SCHEMBL782648 0.86 PDK2 (0.32) TSPOPDK2
SCHEMBL803029 0.86 PDK2 (0.32) TSPOPDK2
SCHEMBL14960715 0.85 PDK2 (0.33) TSPOPDK2
SCHEMBL14960705 0.85 PGR (0.30) PDK2
SCHEMBL14960716 0.84 PDK2 (0.33) TSPOPDK2
SCHEMBL801982 0.84 PDK2 (0.31) PDK2
SCHEMBL15696444 0.83 PDK2 (0.34) TSPOPDK2
SCHEMBL21527134 0.83 PDK2 (0.34) TSPOPDK2
SCHEMBL21527223 0.83 PDK2 (0.34) TSPOPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 191/4885PDK2 2085/4885NR4A2 1795/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 TSPO 191/4885PDK2 2085/4885NR4A2 1795/4885

“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.

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