SCHEMBL3749023

SCHEMBL3749023

CCC(C)(CCC=C(C)C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL13841035 0.87 GAA (0.38) ALOX15CYP3A4LMNAGAA
SCHEMBL7556771 0.87 ALOX15 (0.44) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL11132786 0.84 ALOX15 (0.44) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL16464536 0.83 GAA (0.35) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL28126961 0.83 ALOX15 (0.36) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL16464537 0.83 GAA (0.35) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL12937360 0.82 GAA (0.50) LMNAGAAALDH1A1TSHR
SCHEMBL30819261 0.82 ALOX15 (0.35) ALOX15CYP3A4LMNAALDH1A1HIF1A
SCHEMBL17058709 0.79 ALOX15 (0.44) ALOX15CYP3A4LMNAALDH1A1HIF1A
SCHEMBL10651515 0.79 ALOX15 (0.44) ALOX15CYP3A4LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867217-B1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2022-12-07 EP disclosed
CN-114409537-B Preparation method of acetate compound and catalyst adopted by preparation method 山东新和成药业有限公司 2022-05-31 CN disclosed
CN-114409537-A Preparation method of acetate compound and catalyst adopted by preparation method 山东新和成药业有限公司 2022-04-29 CN disclosed
US-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-12-16 US disclosed
CN-112867703-A Ethers and esters of tertiary alkanols as fragrance chemicals 巴斯夫欧洲公司 2021-05-28 CN disclosed
EP-3640233-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-22 EP disclosed
US-20180273484-A1 DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS HENKEL AG & CO. KGAA (DE) 2018-09-27 US disclosed
US-20160106690-A1 PAIN RELIEF COMPOSITIONS, MANUFACTURE AND USES API GENESIS, LLC (US) 2016-04-21 US disclosed
US-20160106690-A1 PAIN RELIEF COMPOSITIONS, MANUFACTURE AND USES API GENESIS, LLC (US) 2016-04-21 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
CN-101901933-A Nonaqueous electrolytic solution, positive pole and rechargeable nonaqueous electrolytic battery SONY CORP 2010-12-01 CN disclosed
US-5683687-A LAVENDER ABSOLUTE OR JASMINE ABSOLUTE CONTAINED WITHIN A POLYMER MATRIX INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-11-04 US disclosed
EP-0131254-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRAHYDROFURANES L. GIVAUDAN & CIE Société Anonyme (CH) 1988-05-25 EP disclosed
EP-0131254-A2 Process for the preparation of substituted tetrahydrofuranes L. GIVAUDAN & CIE Société Anonyme (CH) 1985-01-16 EP 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 (3 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-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS OR51E2, ETV1, ALK ALOX15 94/4885CYP3A4 29/4885LMNA 1511/4885
US-20160106690-A1 PAIN RELIEF COMPOSITIONS, MANUFACTURE AND USES TRPV1, OPRL1, TRPV3 ALOX15 269/4885CYP3A4 3414/4885LMNA 3920/4885
US-20180273484-A1 DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS TRPA1, TRPC1, NISCH ALOX15 1385/4885CYP3A4 2537/4885LMNA 1423/4885

“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.