SCHEMBL311563

SCHEMBL311563

CNc1nc(-c2ccc(O)cc2)cc2cc(OC)cc(OC)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP2F1 P24903 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2J2 P51589 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4F8 P98187 1/20 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
Hydrochloric Acid SCHEMBL311606 0.99 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL348727 0.72 TDO2 (0.60) CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL8860406 0.69 CYP3A4 (0.52) CYP3A4CYP2D6ABL1BCRMEN1
SCHEMBL311502 0.68 PDE3B (0.48) ABL1ABCB1BCRMAPTKDM4E
SCHEMBL12549065 0.67 ABL1 (0.62) CYP1A1CYP1B1ESR2ESR1ABL1
SCHEMBL13763566 0.66 IDH1 (0.50) CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL2429419 0.65 NPC1 (0.82) CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL11505311 0.64 ABL1 (0.47) CYP1A1CYP1B1CYP3A4CYP2D6ESR2
SCHEMBL17144642 0.64 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL348695 0.63 BRD4 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 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-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 CYP1A1 89/4885CYP1B1 730/4885CYP1A2 355/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 CYP1A1 89/4885CYP1B1 730/4885CYP1A2 355/4885

“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.