SCHEMBL1614523

SCHEMBL1614523

CCCCCC1C=CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
CYP1A2 P05177 3/20 0.36
PPARG P37231 2/20 0.36
DNTT P04053 1/20 0.33
GRM2 Q14416 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HLCS P50747 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL1614688 0.98 CYP1A2 (0.39) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL27482176 0.98 CYP1A2 (0.39) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL27609553 0.94 NFKB1 (0.44) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL14127829 0.89 NFKB1 (0.37) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL6439905 0.86
SCHEMBL6440802 0.77
SCHEMBL2777191 0.76 NFKB1 (0.41) NFKB1NFKB2RELACYP1A2ALDH1A1
SCHEMBL11766874 0.73 NFKB1 (0.41) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL7516212 0.69 CYP1A2 (0.40) NFKB1NFKB2RELACYP1A2PPARG
SCHEMBL9618293 0.69 CYP1A2 (0.44) CYP1A2PPARGDNTTGRM2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-114349640-B Synthesis method of methyl dihydrojasmonate or intermediate thereof and catalyst used in synthesis method 山东新和成药业有限公司 2024-03-22 CN claimed
CN-114349640-A Synthesis method of methyl dihydrojasmonate or intermediate thereof and catalyst used in synthesis method 山东新和成药业有限公司 2022-04-15 CN claimed
CN-110590524-A Method for preparing amyl cyclopentenone without isomerization of organic solvent in synthesis of methyl dihydrojasmonate 万香科技股份有限公司 2019-12-20 CN claimed
CN-106083575-A A kind of preparation method of n-propyl dihydro-jasmonate 郑州卓越农业科技有限公司 2016-11-09 CN claimed
CN-104628565-A Synthetic method for MDJ (Methyl Dihydrojasmonate) UNIV ANHUI SCI & TECHNOLOGY 2015-05-20 CN claimed
CN-103058840-A Synthetic method of michelia alba diketone HUAIAN WANBANG AROMATIC CHEMICALS INDUSTRY CO LTD 2013-04-24 CN claimed
CN-101429122-B Decarboxylation method used in synthesis of methyl dihydrojasmonate HUAIAN WANBANG AROMATIC CHEMICALS CO LTD 2012-03-21 CN claimed
CN-101519355-B Method for preparing methyl dihydrojasmonate NORTHWEST NORMAL UNIVERSITY (CN) 2011-11-30 CN claimed
US-20100247475-A1 BETA-GLUCURONIDASE INHIBITOR KAO CORPORATION (JP) 2010-09-30 US claimed
CN-101802189-A Beta-glucuronidase inhibitor KAO CORP 2010-08-11 CN claimed
EP-2192178-A1 B-GLUCURONIDASE INHIBITOR Kao Corporation (JP) 2010-06-02 EP claimed
CN-101519355-A Method for preparing methyl dihydrojasmonate UNIV NORTHWEST NORMAL 2009-09-02 CN claimed
CN-101429122-A Decarboxylation method used in synthesis of methyl dihydrojasmonate HUAIAN WANBANG AROMATIC CHEMIC (CN) 2009-05-13 CN claimed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US claimed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
JP-59084843-A None JP disclosed
US-3981891-A PERFUMES, COSMETICS SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1976-09-21 US disclosed
US-3951876-A Odoriferous compositions containing certain cyclopentanone derivatives SOCIETE ANONYME DES ETABLISSEMENTS ROURE-BERTRAND FILS & JUSTIN DUPONT (FR) 1976-04-20 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 (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-20100247475-A1 BETA-GLUCURONIDASE INHIBITOR GUSB, GAA, GANAB NFKB1 2035/4885NFKB2 2296/4885RELA 3102/4885

“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.