SCHEMBL16978628

SCHEMBL16978628

CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ccc(-c2ccccc2)cc1n3-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NUDT1 P36639 3/20 0.33
SCN9A Q15858 2/20 0.33
DHODH Q02127 1/20 0.33
ADORA2A P29274 2/20 0.33
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL16978624 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL16978608 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL16978613 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL19061645 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL17228405 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL31726 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL16978626 0.89 TUBB4A (0.36) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL19061518 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL19061404 0.87 L3MBTL1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL19061290 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA

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-20170077415-A1 AN ELECTRON TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 US disclosed
US-20170077415-A1 AN ELECTRON TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-16 US disclosed
US-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-09-03 US disclosed
US-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-09-03 US disclosed
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 US disclosed
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 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-20170077415-A1 AN ELECTRON TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SLC7A5, SLC39A14, SLC43A1 ALDH1A1 1432/4885KDM4E 2213/4885L3MBTL1 1116/4885
US-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME TYR, DDT, COMT ALDH1A1 1353/4885KDM4E 2488/4885L3MBTL1 1018/4885

“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.