SCHEMBL12780902

SCHEMBL12780902

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.40

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
SCHEMBL18327206 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL12780882 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL12780875 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL2923156 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL6825704 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL14447686 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL17780059 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL14653706 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL20386504 1.00 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E
SCHEMBL19862775 0.98 KIF11 (0.47) KIF11CYP2D6ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902402-B2 N,N'-bis(4-diphenylaminobiphenyl-4'-yl)-N,N'-diphenyl-4,4''-diamino-p-terphenyl; EL element comprises an anode, a hole transport layer, a light emitting layer, an electron transport layer and a cathode laminated sequentially on a substrate; displays; provides high luminance at low applied voltage HODOGAYA CHEMICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7897816-B2 N,N'-bis(4-diphenylaminobiphenyl-4'-yl)-N,N'-diphenyl-4,4''-diamino-p-terphenyl; EL element comprises an anode, a hole transport layer, a light emitting layer, an electron transport layer and a cathode laminated sequentially on a substrate; displays; provides high luminance at low applied voltage HODOGAYA CHEMICAL CO., LTD. (JP) 2011-03-01 US disclosed
US-7807274-B2 N,N'-bis(4-diphenylaminobiphenyl-4'-yl)-N,N'-diphenyl-4,4''-diamino-p-terphenyl; EL element comprises an anode, a hole transport layer, a light emitting layer, an electron transport layer and a cathode laminated sequentially on a substrate; displays; provides high luminance at low applied voltage HODOGAYA CHEMICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-20100174115-A1 TETRAMINE COMPOUND AND ORGANIC EL DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-07-08 US disclosed
US-20100171080-A1 TETRAMINE COMPOUND AND ORGANIC EL DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-07-08 US disclosed
US-20070149816-A1 N,N'-bis(4-diphenylaminobiphenyl-4'-yl)-N,N'-diphenyl-4,4''-diamino-p-terphenyl; EL element comprises an anode, a hole transport layer, a light emitting layer, an electron transport layer and a cathode laminated sequentially on a substrate; displays; provides high luminance at low applied voltage HODOGAYA CHEMICAL CO., LTD. (JP) 2007-06-28 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 (3 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-20070149816-A1 N,N'-bis(4-diphenylaminobiphenyl-4'-yl)-N,N'-diphenyl-4,4''-diamino-p-terphenyl; EL element comprises an anode, a hole transport layer, a light emitting layer, an electron transport layer and a cathode laminated sequentially on a substrate; displays; provides high luminance at low applied voltage SLC6A19, TEAD4, RPL19 KIF11 2349/4885CYP2D6 3381/4885ALDH1A1 869/4885
US-20100171080-A1 TETRAMINE COMPOUND AND ORGANIC EL DEVICE TTI1, ELF3, TERT KIF11 1788/4885CYP2D6 2537/4885ALDH1A1 759/4885
US-20100174115-A1 TETRAMINE COMPOUND AND ORGANIC EL DEVICE TTI1, TERT, RIF1 KIF11 1998/4885CYP2D6 2285/4885ALDH1A1 505/4885

“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.