SCHEMBL5043916

SCHEMBL5043916

C=CC(=O)Nc1ccc(OC)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.63
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
EGFR P00533 1/20 0.58
ITK Q08881 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 3/20 0.55
MAPT P10636 2/20 0.55
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC1 Q13547 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.52

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
SCHEMBL1381244 0.87 TGM2 (0.59) TGM2EGFRITKTRPV1
SCHEMBL9864914 0.87 TGM2 (0.59) TGM2EGFRITKSMN1; SMN2TP53
SCHEMBL28450293 0.86 EGFR (0.58) TGM2EGFRITK
SCHEMBL14260335 0.86 MAPT (0.59) TGM2EGFRITKMAPTMEN1
SCHEMBL28455574 0.86 EGFR (0.58) TGM2EGFRITKSMN1; SMN2MAPT
SCHEMBL12179325 0.86 TGM2 (0.58) TGM2EGFRITKSMN1; SMN2TP53
SCHEMBL9865437 0.86 TGM2 (0.58) TGM2EGFRITKSMN1; SMN2TP53
SCHEMBL21834411 0.86 TGM2 (0.58) TGM2EGFRITKALDH1A1RAB9A
SCHEMBL30475564 0.86 SMN1; SMN2 (0.72) TGM2SMN1; SMN2TP53MAPTNPC1
SCHEMBL30230722 0.82 TGM2 (0.54) TGM2CYP1A2CYP2C19CYP2C9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103435750-B Hydrophobic associated polymer containing capsaicine activity monomer and preparation method thereof OCEAN UNIVERSITY OF CHINA (CN) 2015-10-21 CN claimed
CN-102580587-B Capsaicin functional-group containing hydrophilic anti-biological-contamination ultrafiltration membrane and preparation method thereof OCEAN UNIV CHINA 2014-03-12 CN claimed
EP-0538262-A1 N-DIMETHOXY PHENYL ALKYL-N'-IMIDAZOLYL PHENYL AMIDINE DERIVATIVES AND PROCESS THEREOF IL YANG PHARM. CO., LTD. (KR) 1993-04-28 EP claimed
WO-1992000966-A1 N-DIMETHOXY PHENYL ALKYL-N'-IMIDAZOLYL PHENYL AMIDINE DERIVATIVES AND PROCESS THEREOF IL YANG PHARM. CO., LTD. (KR) 1992-01-23 WO claimed
CN-109369594-B Myricetin derivative containing ferulic acid amide, and preparation method and application thereof 贵州大学 2023-08-22 CN disclosed
CN-103435750-B Hydrophobic associated polymer containing capsaicine activity monomer and preparation method thereof OCEAN UNIVERSITY OF CHINA (CN) 2015-10-21 CN disclosed
CN-102580587-B Capsaicin functional-group containing hydrophilic anti-biological-contamination ultrafiltration membrane and preparation method thereof OCEAN UNIV CHINA 2014-03-12 CN disclosed
CN-100497355-C Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1878781-A Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
EP-0538262-A1 N-DIMETHOXY PHENYL ALKYL-N'-IMIDAZOLYL PHENYL AMIDINE DERIVATIVES AND PROCESS THEREOF IL YANG PHARM. CO., LTD. (KR) 1993-04-28 EP disclosed
WO-1992000966-A1 N-DIMETHOXY PHENYL ALKYL-N'-IMIDAZOLYL PHENYL AMIDINE DERIVATIVES AND PROCESS THEREOF IL YANG PHARM. CO., LTD. (KR) 1992-01-23 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 (1 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 TGM2 1013/4885CYP1A2 2690/4885CYP2C19 2204/4885

“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.