SCHEMBL802467

SCHEMBL802467

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 4/20 0.36
METAP2 P50579 3/20 0.36
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
GSK3B P49841 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP17A1 P05093 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
SCHEMBL802041 0.88 DUSP3 (0.32) KDM4EATML3MBTL1
SCHEMBL17988963 0.87 GFER (0.38) GFERNPSR1ALOX12CYP1A2METAP2
SCHEMBL10014072 0.87 KDM4E (0.45) HTTMAPTSMN1; SMN2KDM4EATM
SCHEMBL17988974 0.85 GFER (0.42) GFERNPSR1ALOX12CYP1A2METAP2
SCHEMBL17245807 0.84 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL17245801 0.84 KDM4E (0.41) KDM4EATML3MBTL1
SCHEMBL2603534 0.84 DUSP3 (0.38) GFERNPSR1ALOX12CYP1A2METAP2
SCHEMBL17988967 0.84 GFER (0.39) GFERNPSR1ALOX12CYP1A2METAP2
SCHEMBL17988953 0.83 DUSP3 (0.38) GFERNPSR1ALOX12CYP1A2METAP2
SCHEMBL17245738 0.83 TOP2A (0.35) MAPT

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 8 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-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
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 GFER 1911/4885NPSR1 4435/4885ALOX12 1472/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 GFER 1911/4885NPSR1 4435/4885ALOX12 1472/4885

“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.