SCHEMBL12129641

SCHEMBL12129641

Brc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
CYP2A6 P11509 5/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
KMO O15229 1/20 0.47
CYP19A1 P11511 4/20 0.47
CYP17A1 P05093 1/20 0.47
EPHX2 P34913 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL21311982 1.00 CYP11B1 (0.56) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL12576018 0.98 CYP11B1 (0.57) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL30335566 0.93 CYP2A6 (0.62) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL4270686 0.93 CYP2A6 (0.62) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL17177981 0.91 CYP11B1 (0.61) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL18682051 0.91 CYP11B1 (0.61) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL16675071 0.91 CYP2A6 (0.53) CYP11B1CYP11B2CYP2A6MEN1PGR
SCHEMBL2750529 0.89 CYP11B1 (0.64) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL12129644 0.89 CYP11B1 (0.59) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL12129656 0.89 CYP11B1 (0.64) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2

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-2291354-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
EP-2307368-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
US-20150118507-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-20150118507-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 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
WO-2009142870-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed
WO-2009142867-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 (1 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-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 CYP11B1 11/4885CYP11B2 10/4885CYP2A6 121/4885

“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.