SCHEMBL3422005

SCHEMBL3422005

Cc1ccc(-c2ccc(C)cc2-c2ccncc2)c(-c2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GCGR P47871 2/20 0.42
MAPK14 Q16539 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
NPY5R Q15761 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL25871395 0.95 CYP46A1 (0.54) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL16405698 0.89 CYP46A1 (0.46) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL16405702 0.85 CYP46A1 (0.46) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL13393498 0.84 NPC1 (0.60) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL10110936 0.84 CYP46A1 (0.49) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL30720274 0.84 CYP46A1 (0.49) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL9974948 0.82 MAPT (0.50) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL13036083 0.81 NISCH (0.49) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL15031513 0.81 CYP46A1 (0.46) CYP46A1NPC1RAB9AMAPTMEN1
SCHEMBL1423443 0.81 IDO1 (0.51) CYP46A1NPC1RAB9AMAPTMEN1

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 CYP46A1 3174/4885NPC1 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 CYP46A1 936/4885NPC1 1944/4885RAB9A 2232/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CYP46A1 4183/4885NPC1 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.