SCHEMBL3392580

SCHEMBL3392580

CC1(C)c2ccccc2-c2ccc(-c3ccccn3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.61
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NPC1 O15118 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL30772301 1.00 PDK2 (0.61) PDK2KDM4ECYP1A2LMNACCR1
SCHEMBL13388754 0.98 PDK2 (0.59) PDK2KDM4ECYP1A2LMNACCR1
SCHEMBL14508228 0.95 PDK2 (0.57) PDK2KDM4ECYP1A2LMNACCR1
SCHEMBL13388806 0.95 PDK2 (0.57) PDK2KDM4ECYP1A2LMNACCR1
SCHEMBL14508167 0.94 PDK2 (0.56) PDK2KDM4ECYP1A2LMNACCR1
SCHEMBL14508229 0.94 PDK2 (0.56) PDK2CTSDBACE1CYP2A6
SCHEMBL14508209 0.94 PDK2 (0.56) PDK2CTSDBACE1CYP2A6
SCHEMBL14508133 0.94 PDK2 (0.56) PDK2CTSDBACE1CYP2A6
SCHEMBL14508140 0.94 PDK2 (0.56) PDK2CTSDBACE1CYP2A6
SCHEMBL14508152 0.93 PDK2 (0.54) PDK2KDM4ECYP1A2LMNACCR1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430549-A Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-01-23 CN disclosed
US-20220399506-A1 ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-15 US disclosed
US-20220216430-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2022-07-07 US disclosed
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-9331290-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-05-03 US disclosed
US-9331290-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-05-03 US disclosed
CN-1927896-A Polymer compound and electroluminescent element CANON KK (JP) 2007-03-14 CN disclosed
US-20060280968-A1 Polymer compound and electroluminescent element CANON KABUSHIKI KAISHA (JP) 2006-12-14 US disclosed
US-7108924-B2 An Ir, Pt, Pd, or Rh complex is bonded to a main chain of a polymer via a substituent for imparting a given distance therebetween such as an acrylated acetoacetate group. CANON KABUSHIKI KAISHA (JP) 2006-09-19 US disclosed
US-6921915-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2005-07-26 US disclosed
CN-1643003-A Polymer compound and electroluminescent element CANON KK (JP) 2005-07-20 CN disclosed
EP-1238981-B1 Metal coordination compound, luminescence device and display apparatus CANON KK (JP) 2005-06-15 EP disclosed
EP-1489111-A1 POLYMERIC COMPOUND AND ELECTROLUMINESCENT ELEMENT CANON KABUSHIKI KAISHA (JP) 2004-12-22 EP disclosed
US-20030224208-A1 Polymer compound and electroluminescent element CANON KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
US-20030068535-A1 Metal coordination compound, luminescence device and display apparatus SAMSUNG ELECTRONICS CO., LTD. (KR) 2003-04-10 US disclosed
EP-1238981-A2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2002-09-11 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 (4 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-20030068535-A1 Metal coordination compound, luminescence device and display apparatus CCNL2, CYC1, CYCS PDK2 1769/4885KDM4E 4209/4885CYP1A2 1466/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PDK2 2330/4885KDM4E 3816/4885CYP1A2 3647/4885
US-20220399506-A1 ELECTROLUMINESCENT DEVICE L1CAM, LDHA, LDHB PDK2 1039/4885KDM4E 1597/4885CYP1A2 839/4885
US-20220216430-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME LIMS1, ORC3, MCM4 PDK2 3987/4885KDM4E 2097/4885CYP1A2 3906/4885

“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.