Methyl Cucurbate

Methyl Cucurbate

SCHEMBL2795542

CC/C=C\CC1C(O)CCC1CC(=O)OC

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ OXER1 Q8TDS5 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TBXA2R P21731 2/20 0.30

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
Methyl Cucurbate SCHEMBL21400729 1.00 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2KDM4EALDH1A1
Methyl Cucurbate SCHEMBL2990000 1.00 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL21400807 0.85 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2OXER1CNR1
SCHEMBL21400840 0.84 AKR1C4 (0.36) AKR1C4AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL6727788 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1
SCHEMBL18853787 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1
SCHEMBL30180824 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1
SCHEMBL18853799 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1
SCHEMBL669993 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1
SCHEMBL29517213 0.83 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2ALDH1A1OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223680-B1 Combination of monosaccharides and exfoliating agents and its cosmetic use L'ORÉAL (FR) 2017-10-18 — — EP claimed
US-20100168041-A1 COMBINATION OF MONOSACCHARIDES AND DESQUAMATING AGENTS, AND USE THEREOF L'OREAL (FR) 2010-07-01 — — US claimed
US-20040029839-A1 Compositions comprising jasmonic acid derivatives and use of these derivatives L'OREAL S.A. (FR) 2004-02-12 — — US claimed
US-20180213774-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. 2018-08-02 — — US disclosed
WO-2016120574-A1 HYDROSILANE/LEWIS ACID ADDUCT, PARTICULARLY ALUMINUM, IRON, AND ZINC, METHOD FOR PREPARING SAME, AND USE OF SAID SAME IN REACTIONS FOR REDUCING CARBONYL DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-04 — — WO disclosed
US-8603502-B2 Compositions comprising jasmonic acid derivatives and use of these derivatives L'OREAL S.A. (FR) 2013-12-10 — — US disclosed
US-8481594-B2 Compositions comprising jasmonic acid derivatives and use of these derivatives L'OREAL S. A. (FR) 2013-07-09 — — US disclosed
WO-2012117340-A1 METHOD FOR THE COSMETIC TREATMENT OF SKIN REDNESS L'OREAL (FR) 2012-09-07 — — WO disclosed
US-20100179222-A1 COMPOSITIONS COMPRISING JASMONIC ACID DERIVATIVES AND USE OF THESE DERIVATIVES L'OREAL S.A. 2010-07-15 — — US disclosed
US-20100168041-A1 COMBINATION OF MONOSACCHARIDES AND DESQUAMATING AGENTS, AND USE THEREOF L'OREAL (FR) 2010-07-01 — — US disclosed
US-20100069497-A1 COMPOSITIONS COMPRISING JASMONIC ACID DERIVATIVES AND USE OF THESE DERIVATIVES L'OREAL 2010-03-18 — — US disclosed
US-20040029839-A1 Compositions comprising jasmonic acid derivatives and use of these derivatives L'OREAL S.A. (FR) 2004-02-12 — — US disclosed
US-4237308-A BY DECARBOXYLATION IN THE PRESENCE OF SODIUM CHLORIDE OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1980-12-02 — — 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 (5 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-20100069497-A1 COMPOSITIONS COMPRISING JASMONIC ACID DERIVATIVES AND USE OF THESE DERIVATIVES CBR1, CBR3, DECR1 AKR1C4 48/4885AKR1C3 46/4885AKR1C2 132/4885
US-20040029839-A1 Compositions comprising jasmonic acid derivatives and use of these derivatives CBR1, CBR3, DECR1 AKR1C4 66/4885AKR1C3 35/4885AKR1C2 91/4885
US-20100179222-A1 COMPOSITIONS COMPRISING JASMONIC ACID DERIVATIVES AND USE OF THESE DERIVATIVES CBR1, CBR3, DECR1 AKR1C4 56/4885AKR1C3 48/4885AKR1C2 122/4885
US-20100168041-A1 COMBINATION OF MONOSACCHARIDES AND DESQUAMATING AGENTS, AND USE THEREOF MAN2A1, MANBA, DPM1 AKR1C4 3183/4885AKR1C3 3017/4885AKR1C2 2970/4885
US-20180213774-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS NOTUM, ACMSD, DDT AKR1C4 1872/4885AKR1C3 1911/4885AKR1C2 1857/4885

“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.

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