SCHEMBL802059

SCHEMBL802059

CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2cc3c4ccccc4n(-c4cccnc4)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MDM2 Q00987 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ METAP2 P50579 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34

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
SCHEMBL802510 0.89 KDM4E (0.40) MAPTKDM4ETUBB4ATUBBTUBA3C
SCHEMBL802605 0.87 CYP1A2 (0.40) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL19061533 0.85 CYP1A2 (0.39) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL19061802 0.85 CYP1A2 (0.39) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL2609857 0.85 KDM4E (0.40) MAPTKDM4ETUBB4ATUBBTUBA3C
SCHEMBL19061501 0.83 PDK2 (0.41) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL19061232 0.83 PDK2 (0.41) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL19061240 0.83 PDK2 (0.40) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL19061284 0.83 PDK2 (0.40) GFERNPSR1MDM2CYP1A2METAP2
SCHEMBL2603500 0.82 CYP1A2 (0.40) GFERNPSR1MDM2CYP1A2METAP2

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 7 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-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 GFER 1911/4885NPSR1 4435/4885MDM2 3496/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 GFER 1911/4885NPSR1 4435/4885MDM2 3496/4885

“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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