SCHEMBL5699358

SCHEMBL5699358

CCCCCCCCC=CCCCCCCC(C(=O)OCC)c1ccc(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDE P14735 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 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
SCHEMBL2416924 1.00 MAPT (0.45) MAPTHPGDKDM4EALOX15HSD17B10
SCHEMBL2409788 0.93 CA12 (0.44) HSD17B10TRPV1APP
SCHEMBL2417274 0.86 PSMB11 (0.48) MAPTHPGDKDM4EALOX15HSD17B10
SCHEMBL2417275 0.86 PSMB11 (0.48) MAPTHPGDKDM4EALOX15HSD17B10
SCHEMBL2416682 0.83 PPARA (0.41) MAPK1FAAHPPARA
SCHEMBL2416686 0.81 ALOX15 (0.49) MAPTHPGDALOX15HSD17B10CYP3A4
SCHEMBL2412575 0.81 LMNA (0.52) MAPTLMNATP53POLBMAPK1
SCHEMBL2412578 0.78 POLM (0.46) MAPTHPGDALOX15HSD17B10CYP1A2
SCHEMBL2384369 0.78 ESR1 (0.44) KDM4EHSD17B10LMNATP53CYP1A2
SCHEMBL5699327 0.78 ESR1 (0.44) KDM4EHSD17B10LMNATP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098246-B2 Natural compounds and their derivatives for the prevention and treatment of cardiovascular, hepatic and renal diseases and for cosmetic applications PULEVA BIOTECH, S.A. (ES) 2006-08-29 US disclosed
EP-1516866-B1 NATURAL COMPOUNDS AND DERIVATIVES THEREOF FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR, HEPATIC AND RENAL DISEASES AND FOR COSMETIC APPLICATIONS PULEVA BIOTECH SA (ES) 2006-07-12 EP disclosed
EP-1494658-B1 NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES PULEVA BIOTECH SA (ES) 2006-01-04 EP disclosed
EP-1516866-A9 NATURAL COMPOUNDS AND DERIVATIVES THEREOF FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR, HEPATIC AND RENAL DISEASES AND FOR COSMETIC APPLICATIONS PULEVA BIOTECH, S.A. (ES) 2005-10-05 EP disclosed
EP-1516866-A1 NATURAL COMPOUNDS AND DERIVATIVES THEREOF FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR, HEPATIC AND RENAL DISEASES AND FOR COSMETIC APPLICATIONS PULEVA BIOTECH, S.A. (ES) 2005-03-23 EP disclosed
EP-1494658-A1 NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES PULEVA BIOTECH, S.A. (ES) 2005-01-12 EP disclosed
US-20030236202-A1 Natural products and derivatives thereof for protection against neurodegenerative diseases PULEVA BIOTECH, S.A. (ES) 2003-12-25 US disclosed
US-20030225160-A1 Natural compounds and their derivatives for the prevention and treatment of cardiovascular, hepatic and renal diseases and for cosmetic applications PULEVA BIOTECH S.A. (ES) 2003-12-04 US disclosed
WO-2003082259-A1 NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES PULEVA BIOTECH, S.A. (ES) 2003-10-09 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-20030225160-A1 Natural compounds and their derivatives for the prevention and treatment of cardiovascular, hepatic and renal diseases and for cosmetic applications LIPC, FABP1, NR1H2 MAPT 4558/4885HPGD 1786/4885KDM4E 3373/4885
US-20030236202-A1 Natural products and derivatives thereof for protection against neurodegenerative diseases SNCA, HTT, PARK7 MAPT 9/4885HPGD 652/4885KDM4E 2758/4885

“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.