SCHEMBL2455199

SCHEMBL2455199

CCCC(n1nc(C)cc1C)(n1nc(C)cc1C)n1nc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.38
GLS O94925 1/20 0.37
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APAF1 O14727 1/20 0.32

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
SCHEMBL4988340 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGLAGLSLMNA
Carbon Monoxide SCHEMBL7691749 0.77 LMNA (0.37) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL14437483 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL21166006 0.76 TSHR (0.39) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL4464474 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL14459645 0.73 KDM4E (0.44) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL18773790 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL24590365 0.73 KMT2A (0.36) ALDH1A1KDM4EGLAGLSTSHR
SCHEMBL11481850 0.73 RECQL (0.35) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL21720004 0.72 KMT2A (0.35) ALDH1A1KDM4EGLAGLSTSHR

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
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
CN-102245616-B Method for producing organolithium compound and method for producing substituted aromatic compound NIPPON SODA CO.,LTD. (JP) 2016-03-30 CN disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 US disclosed
US-7368516-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2008-05-06 US disclosed
US-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-08-25 US disclosed
US-6900152-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20020035029-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2002-03-21 US disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 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-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst ACMSD, TAF9, ETV6 ALDH1A1 2843/4885KDM4E 2297/4885GLA 4455/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 ALDH1A1 4118/4885KDM4E 4107/4885GLA 3942/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 ALDH1A1 4118/4885KDM4E 4107/4885GLA 3942/4885

“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.