SCHEMBL9715760

SCHEMBL9715760

COC(=O)C(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.59
ALDH1A1 P00352 6/20 0.51
HPGD P15428 1/20 0.51
CYP19A1 P11511 2/20 0.50
TRPA1 O75762 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX4 Q99571 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13932935 1.00 EPHX1 (0.59) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6387314 0.93 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16194851 0.93 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL17407566 0.87 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14616021 0.87 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6129364 0.87 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14355425 0.87 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL3127776 0.87 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL1664553 0.86 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15797823 0.86 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085150-B Synthesis method of beta- (-) -L-menthyl-acrylic ester compound and application of beta- (-) -L-menthyl-acrylic ester compound in cigarettes 云南中烟工业有限责任公司 2023-10-20 CN claimed
EP-0280285-B1 PROCESS FOR MAKING AND ISOLATING (R)-2-HYDROXY 4-PHENYLBUTYRIC ACID AND ESTERS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-02 EP claimed
CN-114085150-B Synthesis method of beta- (-) -L-menthyl-acrylic ester compound and application of beta- (-) -L-menthyl-acrylic ester compound in cigarettes 云南中烟工业有限责任公司 2023-10-20 CN disclosed
CN-114085150-B Synthesis method of beta- (-) -L-menthyl-acrylic ester compound and application of beta- (-) -L-menthyl-acrylic ester compound in cigarettes 云南中烟工业有限责任公司 2023-10-20 CN disclosed
CN-114085150-A Synthetic method of beta- (-) -L-menthyl-acrylate compound and application of beta- (-) -L-menthyl-acrylate compound in cigarettes 云南中烟工业有限责任公司 2022-02-25 CN disclosed
US-8344025-B2 Oxalic acid derivatives and use thereof as physiological cooling active ingredients SYMRISE AG (DE) 2013-01-01 US disclosed
US-8344025-B2 Oxalic acid derivatives and use thereof as physiological cooling active ingredients SYMRISE AG (DE) 2013-01-01 US disclosed
EP-2033688-B1 Oxalic acid derivatives and their use as physiological cooling agents SYMRISE AG (DE) 2012-10-17 EP disclosed
EP-2033688-A2 Oxalic acid derivatives and their use as physiological cooling agents Symrise GmbH & Co. KG (DE) 2009-03-11 EP disclosed
US-20090054520-A1 OXALIC ACID DERIVATIVES AND USE THEREOF AS PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS SYMRISE GMBH & CO. KG (DE) 2009-02-26 US disclosed
US-20090054520-A1 OXALIC ACID DERIVATIVES AND USE THEREOF AS PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS SYMRISE GMBH & CO. KG (DE) 2009-02-26 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-20090054520-A1 OXALIC ACID DERIVATIVES AND USE THEREOF AS PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS OTC, OAT, HOGA1 EPHX1 1362/4885ALDH1A1 763/4885HPGD 129/4885

“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.