SCHEMBL12440406

SCHEMBL12440406

CC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)cc1C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP1A2 P05177 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL12793969 0.97 PDK2 (0.36) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL2606535 0.95 PDK2 (0.35) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL20036912 0.95 PDK2 (0.38) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL14073273 0.95 ALDH1A1 (0.37) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL24527187 0.95 PDK2 (0.36) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL15178611 0.92 PDK2 (0.39) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL10010140 0.92 PDK2 (0.37) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL24646511 0.92 PDK2 (0.39) PDK2HTTNPSR1L3MBTL1CYP2A6
SCHEMBL15801394 0.92 KDM4E (0.30) PDK2HTTNPSR1L3MBTL1
SCHEMBL24252007 0.91 PDK2 (0.40) PDK2HTTNPSR1L3MBTL1CYP2A6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190237675-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-08-01 US disclosed
US-10312452-B2 Aromatic amine derivative and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2019-06-04 US disclosed
EP-1883688-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-11 EP disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20140239283-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239283-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
EP-1860097-B1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO (JP) 2011-08-10 EP disclosed
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 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 (5 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-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH PDK2 519/4885HTT 1295/4885NPSR1 2306/4885
US-10312452-B2 Aromatic amine derivative and organic electroluminescence device utilizing the same TYR, OCIAD2, MAOA PDK2 617/4885HTT 1607/4885NPSR1 4667/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 PDK2 1138/4885HTT 1570/4885NPSR1 2907/4885
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME TYR, NLRP1, NLRP3 PDK2 953/4885HTT 1154/4885NPSR1 4092/4885
US-20190237675-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME TYR, NLRP1, NLRP3 PDK2 953/4885HTT 1154/4885NPSR1 4092/4885

“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.