SCHEMBL1465482

SCHEMBL1465482

N#CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
MAOB P27338 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 3/20 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
BLM P54132 2/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
PMP22 Q01453 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6035149 0.93 MEN1 (0.56) MEN1KMT2AATMMAPK1NPC1
SCHEMBL1464842 0.91 MAPK1 (0.55) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL30028270 0.91 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6355596 0.91 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL31040282 0.87 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1030549 0.87 PDE4A (0.40) SLC2A1MAOBMEN1KMT2AMAPK1
SCHEMBL31040288 0.87 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30028244 0.87 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10410523 0.86 APP (0.46) MAOBMEN1KMT2AMAPK1CYP1A2
SCHEMBL21964294 0.86 S1PR5 (0.50) MAOBMEN1KMT2AMAPK1CYP1A2

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805126-B Preparation method of 2-nitro-4, 5-dibenzyloxy benzyl cyanide 浙江荣耀生物科技股份有限公司 2024-06-18 CN claimed
CN-114805126-A Preparation method of 2-nitro-4, 5-dibenzyloxy benzyl cyanide 浙江荣耀生物科技股份有限公司 2022-07-29 CN claimed
US-5508464-A NITRATING OF A 4,5-DIBENZYLOXYPHENYLACETONITRILE, FOLLOWED BY DEBENZYLATION, HYDROGENATION AND CYCLIZATION L'OREAL (FR) 1996-04-16 US claimed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
CN-118421577-B Tyrosinase mutant and use thereof 华南理工大学 2024-10-01 CN disclosed
CN-118421577-A Tyrosinase mutant and use thereof 华南理工大学 2024-08-02 CN disclosed
CN-114805126-B Preparation method of 2-nitro-4, 5-dibenzyloxy benzyl cyanide 浙江荣耀生物科技股份有限公司 2024-06-18 CN disclosed
CN-114805126-B Preparation method of 2-nitro-4, 5-dibenzyloxy benzyl cyanide 浙江荣耀生物科技股份有限公司 2024-06-18 CN disclosed
CN-117924143-A Preparation method of 5, 6-dihydroxyindole 北京成宇化工有限公司 2024-04-26 CN disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
CN-116444569-A Triphenylhydroxytyrosol and synthesis method thereof and application of triphenylhydroxytyrosol in preparation of medicines for improving aortic endothelial cell functions 西安交通大学 2023-07-18 CN disclosed
EP-2007756-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
US-20080261895-A1 Isolated hydroxy and n-oxide metabolites and derivatives of O-desmethylvenlafaxine and methods of treatment WYETH 2008-10-23 US disclosed
WO-2008051558-A2 ISOLATED HYDROXY AND N-OXIDE METABOLITES AND DERIVATIVES OF O-DESMETHYLVENLAFAXINE AND METHODS OF TREATMENT WYETH (US) 2008-05-02 WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-5536865-A Process for the preparation of 5,6-dihydroxyindole and intermediate compounds L'OREAL (FR) 1996-07-16 US disclosed
US-5508464-A NITRATING OF A 4,5-DIBENZYLOXYPHENYLACETONITRILE, FOLLOWED BY DEBENZYLATION, HYDROGENATION AND CYCLIZATION L'OREAL (FR) 1996-04-16 US disclosed
US-5498746-A Process for the preparation of 5,6-dihydroxyindole and intermediate compounds L'OREAL (FR) 1996-03-12 US disclosed
US-5410067-A Catalytic hydrogenation; cyclization L'OREAL (FR) 1995-04-25 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 (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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC2A1 74/4885MAOB 3306/4885MEN1 4687/4885
US-20080261895-A1 Isolated hydroxy and n-oxide metabolites and derivatives of O-desmethylvenlafaxine and methods of treatment UGT1A4, SLC6A4, UGT1A3 SLC2A1 468/4885MAOB 88/4885MEN1 4421/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 SLC2A1 214/4885MAOB 3163/4885MEN1 4579/4885

“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.