SCHEMBL783419

SCHEMBL783419

CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2cccc(-c4cccc(C(=O)c5ccccc5)c4)c2)cc13

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.39
▸ PGR P06401 1/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.34
▸ NR4A2 P43354 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
SCHEMBL781373 0.85 CDK4 (0.39) PDK2PGRALKGABRA1GABRG2
SCHEMBL17280981 0.84 PGR (0.38) PDK2PGRALKGABRA1GABRG2
SCHEMBL29202837 0.84 ALK (0.34) PGRALKGABRA1GABRG2GABRB3
SCHEMBL14979109 0.83 CDK4 (0.39) PDK2PGRALKGABRA1GABRG2
SCHEMBL782532 0.81 PDK2 (0.37) PDK2PGRCNR2ATMTDP1
SCHEMBL17222447 0.80 PIM1 (0.34) PGRALKGABRA1GABRG2GABRB3
SCHEMBL14880906 0.80 PGR (0.38) PGRGABRA1GABRG2GABRB3GABRA5
SCHEMBL783189 0.80 PDK2 (0.38) PDK2PGRCNR2ATMTDP1
SCHEMBL22106242 0.79 PDK2 (0.41) PDK2PGRGABRA1GABRG2GABRB3
SCHEMBL17251737 0.78 MMP2 (0.34) ALKMEN1KMT2ATDP1

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 PDK2 2085/4885PGR 1496/4885ALK 2518/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885PGR 1496/4885ALK 2518/4885

“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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