SCHEMBL802450

SCHEMBL802450

CC1(C)c2cc(C(=O)c3ccccc3)ccc2-c2cc3c4ccc(C(=O)c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.32
▸ RXRA P19793 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL2603514 0.97 PDK2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL802009 0.95 PDK2 (0.37) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603513 0.92 PDK2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL16160489 0.87 CNR2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL12181466 0.87 PDK2 (0.34) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603520 0.86 CNR2 (0.36) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603515 0.86 PDK2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL20413324 0.85 PDK2 (0.32) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603516 0.82 CNR2 (0.38) CNR2MEN1KMT2AHTTL3MBTL1
SCHEMBL2603549 0.82 CNR2 (0.37) PDK2CNR2ALDH1A1SMN1; SMN2GLA

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 9 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-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO 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 2640/4885ALDH1A1 1226/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885CNR2 2640/4885ALDH1A1 1226/4885

“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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