SCHEMBL17629237

SCHEMBL17629237

CC(C)CC1CC(C)(CC(=O)O)CCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL17633490 1.00 CYP1A2 (0.31) CYP1A2
SCHEMBL17629236 1.00 CYP1A2 (0.31) CYP1A2
SCHEMBL19451853 0.88
SCHEMBL29414515 0.80
SCHEMBL17859726 0.79
SCHEMBL15663254 0.77 EPHX1 (0.44) CYP1A2
SCHEMBL140451 0.74
SCHEMBL2349153 0.74
SCHEMBL2348175 0.74
SCHEMBL111930 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197987-B1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMERICALLY ENRICHED CIS- OR TRANS- (2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL) ACETATE BASF SE (DE) 2019-01-23 EP claimed
EP-3197987-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2017-08-02 EP claimed
WO-2016046360-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2016-03-31 WO claimed
EP-3873658-A1 METHOD FOR PRODUCING MICROPARTICLES WHICH ARE CHARGED WITH AN ACTIVE MATERIAL BASF SE (DE) 2021-09-08 EP disclosed
CN-113164897-A Method for preparing microparticles filled with active material 巴斯夫欧洲公司 2021-07-23 CN disclosed
EP-3265451-B1 METHOD FOR THE PREPARATION OF TETRAHYDROPYRANYL ESTERS BASF SE (DE) 2020-08-26 EP disclosed
EP-3483151-A1 TETRAHYDROPYRANYL ESTERS AS ODORANTS BASF SE (DE) 2019-05-15 EP disclosed
EP-3197987-B1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMERICALLY ENRICHED CIS- OR TRANS- (2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL) ACETATE BASF SE (DE) 2019-01-23 EP disclosed
US-10160931-B2 Use of isomerically pure or highly isomer-enriched cis- or trans-(2-isobutyl-4-methyl-tetrahydropyran-4-yl)acetate BASF SE (DE) 2018-12-25 US disclosed
US-10160931-B2 Use of isomerically pure or highly isomer-enriched cis- or trans-(2-isobutyl-4-methyl-tetrahydropyran-4-yl)acetate BASF SE (DE) 2018-12-25 US disclosed
EP-3197987-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2017-08-02 EP disclosed
EP-3197987-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2017-08-02 EP disclosed
CN-106715408-A Use of isomerically pure or highly isomer-enriched cis- or trans-(2-isobutyl-4-methyl-tetrahydropyran-4-yl)acetate 巴斯夫欧洲公司 2017-05-24 CN disclosed
CN-106715408-A Use of isomerically pure or highly isomer-enriched cis- or trans-(2-isobutyl-4-methyl-tetrahydropyran-4-yl)acetate 巴斯夫欧洲公司 2017-05-24 CN disclosed
WO-2016046360-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2016-03-31 WO disclosed
WO-2016046360-A1 USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE BASF SE (DE) 2016-03-31 WO 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-10160931-B2 Use of isomerically pure or highly isomer-enriched cis- or trans-(2-isobutyl-4-methyl-tetrahydropyran-4-yl)acetate HPD, ACMSD, TES CYP1A2 339/4885

“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.