SCHEMBL1604142

SCHEMBL1604142

O=C(C=Cc1ccc(O)cc1)c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.77
CYP1A2 P05177 6/20 0.77
CYP1B1 Q16678 6/20 0.77
CYP3A4 P08684 4/20 0.77
CYP2D6 P10635 3/20 0.77
MAPT P10636 5/20 0.76
KMT2A Q03164 3/20 0.73
RAB9A P51151 2/20 0.73
APP P05067 1/20 0.72
GSK3B P49841 1/20 0.72
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.68
HSPD1 P10809 1/20 0.66
PKM P14618 1/20 0.66
NFKB1 P19838 1/20 0.66
HSPE1 P61604 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
MAPK1 P28482 1/20 0.65

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
SCHEMBL31436361 1.00 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL31436369 1.00 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1322027 0.88 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1322029 0.88 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL20570877 0.87 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL979408 0.87 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9503680 0.87 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3024151 0.86 CYP1B1 (0.75) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL2705060 0.86 MAPT (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9804079 0.86 MAPT (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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
US-8242144-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases RESVERLOGIX CORP. 2011-04-07 US disclosed
US-7846915-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2010-12-07 US disclosed
US-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045010-A2 STILBENES AND CHALCONES FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO 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-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases APOB, APOL1, HDLBP CYP1A1 217/4885CYP1A2 808/4885CYP1B1 697/4885
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases APOB, APOL1, HDLBP CYP1A1 217/4885CYP1A2 808/4885CYP1B1 697/4885

“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.