SCHEMBL12129552

SCHEMBL12129552

CCc1cc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.61
PRMT6 Q96LA8 1/20 0.61
CYP2A6 P11509 4/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 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
CYP19A1 P11511 4/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
DHFR P00374 1/20 0.48
KMO O15229 1/20 0.47
CYP17A1 P05093 2/20 0.47
BACE1 P56817 2/20 0.47
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL21442882 0.96 CYP2A6 (0.58) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL2759632 0.91 EPHX2 (0.68) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL22182761 0.86 CYP2A6 (0.50) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL8883342 0.85 EPHX2 (0.49) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL7083645 0.85 MKNK1 (0.57) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL472057 0.84 CYP2A6 (0.75) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL12108690 0.84 CYP2A6 (0.75) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL22428556 0.84 CYP2A6 (0.75) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL12129595 0.84 CYP2A6 (0.75) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL20930856 0.84 CYP2A6 (0.75) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016091887-A2 AMBIPOLAR HOST MATERIALS AND USE THEREOF CYNORA GMBH (DE) 2016-06-16 WO 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-20090289224-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 (2 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 EPHX2 1612/4885PRMT6 3774/4885CYP2A6 121/4885
US-20090289224-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 EPHX2 1612/4885PRMT6 3774/4885CYP2A6 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.