SCHEMBL233612

SCHEMBL233612

CCOC(=O)CC(=O)OCCC1CCCC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALOX15 P16050 1/20 0.34
EPHX2 P34913 9/20 0.33
ALDH1A1 P00352 2/20 0.33
ARG1 P05089 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 2/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL20168559 1.00 MGAM (0.42) MGAMGAASIMGAM2ALOX15
SCHEMBL25341709 0.94 NAAA (0.34) MGAMGAASIMGAM2ARG1
SCHEMBL25341713 0.87 ARG1 (0.34) GAAARG1NAAA
SCHEMBL12332968 0.86 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL17629469 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL30013264 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL6870122 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL756557 0.81 ARG1 (0.34) GAAALDH1A1ARG1NAAA
SCHEMBL23824765 0.81 ALDH1A1 (0.36) MGAMGAASIMGAM2EPHX2
SCHEMBL6869259 0.80 MEN1 (0.33) EPHX2ALDH1A1TDP1

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-4139041-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-03-01 EP claimed
EP-4120991-A1 CONSUMER PRODUCT COMPRISING A PLURALITY OF MICROCAPSULES DEFINED BY THE MEAN TOTAL SURFACE AREA Givaudan SA (CH) 2023-01-25 EP claimed
WO-2021213930-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-10-28 WO claimed
WO-2021185736-A1 CONSUMER PRODUCT COMPRISING A PLURALITY OF MICROCAPSULES DEFINED BY THE MEAN TOTAL SURFACE AREA GIVAUDAN SA (CH) 2021-09-23 WO claimed
EP-4433483-B1 FRAGRANCE SUBSTANCES AND FORMULATION CONTAINING THEM INT FLAVORS & FRAGRANCES INC (US) 2026-01-14 EP disclosed
EP-4659819-A2 A NOVEL FURAN COMPOUND AND ITS USE IN FRAGRANCE FORMULATIONS International Flavors & Fragrances Inc. (US) 2025-12-10 EP disclosed
US-12428609-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-09-30 US disclosed
EP-4416137-B1 A NOVEL FURAN COMPOUND AND ITS USE IN FRAGRANCE FORMULATIONS INT FLAVORS & FRAGRANCES INC (US) 2025-07-23 EP disclosed
US-20250034073-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-01-30 US disclosed
US-20240391891-A1 A NOVEL FURAN COMPOUND AND ITS USE IN FRAGRANCE FORMULATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-11-28 US disclosed
EP-4433483-A1 NOVEL ORGANOLEPTIC COMPOUNDS International Flavors & Fragrances Inc. (US) 2024-09-25 EP disclosed
EP-4416137-A1 A NOVEL FURAN COMPOUND AND ITS USE IN FRAGRANCE FORMULATIONS International Flavors & Fragrances Inc. (US) 2024-08-21 EP disclosed
US-20130109761-A1 OCTAHYDRO-1H-4,7-METHANO-INDENE-5-ALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2013-05-02 US disclosed
US-8309511-B1 3(or 2),4,5-trimethyl-octahydro-4,7-methano-inden-5-ol and its use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-11-13 US disclosed
US-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-11-01 US disclosed
US-20120207698-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-08-16 US disclosed
US-20120183490-A1 NOVEL 1,3-OXATHIANE COMPOUNDS AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-07-19 US disclosed
US-8114823-B2 Isomers of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-02-14 US disclosed
US-20120010301-A1 ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-01-12 US disclosed
US-20120004326-A1 ISOMERS OF BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, ETHYL ESTER AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-01-05 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 (9 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-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS DPYD, HINT1, MTR MGAM 4565/4885GAA 4810/4885SI 4521/4885
US-12428609-B2 Organoleptic compounds TRPA1, TRPV1, TRPV5 MGAM 4082/4885GAA 3600/4885SI 3500/4885
US-20130109761-A1 OCTAHYDRO-1H-4,7-METHANO-INDENE-5-ALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS MSMO1, ADH5, TRPA1 MGAM 3680/4885GAA 4773/4885SI 2603/4885
US-20240391891-A1 A NOVEL FURAN COMPOUND AND ITS USE IN FRAGRANCE FORMULATIONS TRPA1, TRPV1, TRPV5 MGAM 4365/4885GAA 3968/4885SI 3888/4885
US-20120004326-A1 ISOMERS OF BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, ETHYL ESTER AND THEIR USE IN PERFUME COMPOSITIONS ELOVL5, CYP8B1, CYP1B1 MGAM 3465/4885GAA 4199/4885SI 2419/4885
US-20120207698-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS DPYD, TYMP, IMPDH1 MGAM 4792/4885GAA 3944/4885SI 3818/4885
US-20120183490-A1 NOVEL 1,3-OXATHIANE COMPOUNDS AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS TAS1R1, TAS2R1, TAS1R3 MGAM 3303/4885GAA 4582/4885SI 3601/4885
US-20250034073-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 MGAM 4254/4885GAA 3941/4885SI 4083/4885
US-20120010301-A1 ORGANOLEPTIC COMPOUNDS TRPA1, OR51E2, OR10J3 MGAM 4456/4885GAA 4527/4885SI 4066/4885

“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.