SCHEMBL5527335

SCHEMBL5527335

Clc1cc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MKNK1 Q9BUB5 2/20 0.58
▸ MKNK2 Q9HBH9 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PSIP1 O75475 1/20 0.58
▸ AXL P30530 1/20 0.58
▸ CYP11B1 P15538 4/20 0.52
▸ CYP11B2 P19099 4/20 0.52
▸ CYP19A1 P11511 3/20 0.52
▸ CYP17A1 P05093 1/20 0.52
▸ KMO O15229 1/20 0.51
▸ NPY5R Q15761 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ EPHX2 P34913 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ DYRK1A Q13627 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL2751114 0.96 CYP2A6 (0.65) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL5531359 0.94 CYP19A1 (0.56) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL12373173 0.94 NPY5R (0.58) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL1690651 0.92 CYP2A6 (0.65) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL551225 0.90 CYP2A6 (0.62) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL12129596 0.89 CYP2A6 (0.75) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL12129614 0.89 CYP2A6 (0.75) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL532271 0.89 CYP2A6 (0.75) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL20930856 0.89 CYP2A6 (0.75) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL22428556 0.89 CYP2A6 (0.75) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445881-B1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM BOE TECHNOLOGY GROUP CO LTD (CN) 2017-11-15 — — EP disclosed
EP-2307368-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 — — EP disclosed
US-8962157-B2 Electron-transporting materials GENERAL ELECTRIC COMPANY (US) 2015-02-24 — — US disclosed
US-8962157-B2 Electron-transporting materials GENERAL ELECTRIC COMPANY (US) 2015-02-24 — — US disclosed
US-8865905-B2 Organic compounds GENERAL ELECTRIC COMPANY (US) 2014-10-21 — — US disclosed
US-8865905-B2 Organic compounds GENERAL ELECTRIC COMPANY (US) 2014-10-21 — — US disclosed
US-20130217882-A1 ORGANIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2013-08-22 — — US disclosed
US-20130217882-A1 ORGANIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2013-08-22 — — US disclosed
US-8426601-B2 Process for making organic compounds and the organic compounds made therefrom GENERAL ELECTRIC COMPANY (US) 2013-04-23 — — US disclosed
US-8426601-B2 Process for making organic compounds and the organic compounds made therefrom GENERAL ELECTRIC COMPANY (US) 2013-04-23 — — US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 — — US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 — — US disclosed
US-20110155955-A1 ELECTRON-TRANSPORTING MATERIALS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2011-06-30 — — US disclosed
US-20110155955-A1 ELECTRON-TRANSPORTING MATERIALS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2011-06-30 — — US disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 — — US disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 — — US disclosed
WO-2010151389-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-29 — — WO disclosed
WO-2009142870-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 — — WO disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 — — US disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 — — 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-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM CYP4F11, BCL6, CYP2F1 CYP2A6 41/4885ALDH1A1 2404/4885CYP1A2 144/4885
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 CYP2A6 121/4885ALDH1A1 514/4885CYP1A2 45/4885
US-20110155955-A1 ELECTRON-TRANSPORTING MATERIALS C3AR1, C1S, C1R CYP2A6 396/4885ALDH1A1 771/4885CYP1A2 225/4885

“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.

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