SCHEMBL312277

SCHEMBL312277

COc1ccc(-c2cc(O)c3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR2 Q92731 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NQO2 P16083 1/20 0.47
GPR84 Q9NQS5 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
SCHEMBL8499507 0.85 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL3013825 0.83 HSD17B1 (0.67) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL7522569 0.82 MTNR1A (0.54) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL8196720 0.82 NQO2 (0.67) KDM4EALDH1A1MAPTHPGDESR2
SCHEMBL13241111 0.81 CYP1A2 (0.53) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL7527606 0.81 NQO2 (0.52) ESR2NQO2GPR84CYP1A2ALOX5
SCHEMBL312189 0.80 ESR1 (0.67) ESR2NQO2ALOX5ESR1HSD17B1
SCHEMBL29428606 0.80 NQO2 (0.61) SMN1; SMN2TP53CASP3SENP7KDM4E
SCHEMBL911036 0.80 NQO2 (0.61) SMN1; SMN2TP53CASP3SENP7KDM4E
SCHEMBL6467361 0.80 NQO2 (0.59) KDM4EALDH1A1MAPTHPGDESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US claimed
EP-1835895-A2 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINTIY TO ER ALPHA OR BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS Aventis Pharmaceuticals Inc. (US) 2007-09-26 EP claimed
WO-2006073714-A2 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINTIY TO ER ALPHA OR BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2006-07-13 WO claimed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
CN-101094664-A Use of certain phenyl-naphthyl compounds that do not have significant affinity to er alpha or er beta for protection of neurons and oligodendrocytes in the treatment of multiple sclerosis AVENTIS PHARMA INC (US) 2007-12-26 CN disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US disclosed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US disclosed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 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
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS 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 (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-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 SMN1; SMN2 2736/4885NPC1 26/4885RAB9A 3153/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 SMN1; SMN2 2736/4885NPC1 26/4885RAB9A 3153/4885
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS ESR2, ESRRG, ESRRB SMN1; SMN2 530/4885NPC1 1161/4885RAB9A 4054/4885

“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.