SCHEMBL3424504

SCHEMBL3424504

Cc1ccc(-c2ccc(C)cc2-c2cccnc2)c(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MAPT P10636 1/20 0.54
CYP3A4 P08684 4/20 0.53
MAP2K4 P45985 1/20 0.53
CYP17A1 P05093 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2B6 P20813 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL25871383 0.96 CYP2A6 (0.56) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16405697 0.90 AXL (0.51) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL14003400 0.87 CYP2A6 (0.54) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL13393530 0.87 NPC1 (0.64) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL14493330 0.87 CYP2A6 (0.54) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16405700 0.85 CYP2A6 (0.46) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4452255 0.85 CYP2A6 (0.53) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6171120 0.84 CYP2A6 (0.51) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4470418 0.84 CYP2A6 (0.51) CYP2A6NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2665898 0.84 CYP2A6 (0.51) CYP2A6NPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-20160079545-A1 Organic Electroluminescence Device UDC Ireland (IE) 2016-03-17 US disclosed
US-9287515-B2 Compositions comprising organic and organometallic compounds, and their applications in organic electroluminescence, light emission, display, and illumination devices UDC Ireland (IE) 2016-03-15 US disclosed
EP-1956022-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL CO (JP) 2012-07-25 EP disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP 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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CYP2A6 1781/4885NPC1 4722/4885RAB9A 2408/4885
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 CYP2A6 418/4885NPC1 1944/4885RAB9A 2232/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CYP2A6 4115/4885NPC1 4077/4885RAB9A 3982/4885

“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.