SCHEMBL803044

SCHEMBL803044

CC1(C)c2ccccc2-c2cc3c4cc(C(=O)c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)C(C)(C)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ PGR P06401 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TEAD1 P28347 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ TEAD2 Q15562 1/20 0.33
▸ TEAD3 Q99594 1/20 0.33

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
SCHEMBL12117351 0.94 PDK2 (0.42) PDK2CNR2KDM4EPGRALDH1A1
SCHEMBL12455989 0.90 PDK2 (0.33) PDK2CNR2KDM4EPGRALDH1A1
SCHEMBL12117341 0.88 PDK2 (0.43) PDK2CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL782532 0.88 PDK2 (0.37) PDK2CNR2KDM4EPGRALDH1A1
SCHEMBL12989852 0.86 — —
SCHEMBL14822310 0.84 PGR (0.37) PDK2KDM4EPGRALDH1A1SMN1; SMN2
SCHEMBL783418 0.84 PGR (0.37) PDK2KDM4EPGRALDH1A1SMN1; SMN2
SCHEMBL783308 0.84 KDM4E (0.50) KDM4EPGRALDH1A1GLAHSD17B10
SCHEMBL783103 0.83 CNR2 (0.36) PDK2CNR2KDM4EALDH1A1HSD17B10
SCHEMBL15040987 0.83 PGR (0.36) PDK2KDM4EPGRALDH1A1SMN1; SMN2

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 PDK2 2085/4885CNR2 2640/4885KDM4E 1899/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885CNR2 2640/4885KDM4E 1899/4885

“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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