SCHEMBL20094489

SCHEMBL20094489

CC(=O)OC12C=CC(OC(C)=O)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 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
SCHEMBL1012168 0.70 FFAR3 (0.31)
SCHEMBL20094580 0.69 ALDH1A1 (0.37) ALOX15ALDH1A1TSHR
SCHEMBL7058339 0.67 ALOX15 (0.33) ALOX15
SCHEMBL9458328 0.67 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL1287801 0.67
SCHEMBL17244109 0.67
SCHEMBL6092390 0.67
SCHEMBL27869033 0.67
SCHEMBL11980672 0.66 ALOX15 (0.36) ALOX15
SCHEMBL3638544 0.65 ALDH1A1 (0.33) ALOX15ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433181-B Synthesis of bicyclo [2.2.2] octane derivatives 伊士曼化工公司 2023-08-04 CN disclosed
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives EASTMAN CHEMICAL COMPANY (US) 2022-12-06 US disclosed
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives EASTMAN CHEMICAL COMPANY (US) 2022-12-06 US disclosed
EP-3529230-B1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEM CO (US) 2020-09-30 EP disclosed
US-20200270191-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2020-08-27 US disclosed
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes EASTMAN CHEMICAL COMPANY (US) 2020-04-28 US disclosed
US-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES EASTMAN CHEMICAL COMPANY (US) 2020-02-06 US disclosed
WO-2019075004-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2019-04-18 WO disclosed
WO-2018075301-A1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEMICAL COMPANY (US) 2018-04-26 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 (4 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-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES PPOX, ODC1, AOC2 ALOX15 199/4885ALDH1A1 811/4885TSHR 3951/4885
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes PPOX, ODC1, AOC2 ALOX15 199/4885ALDH1A1 811/4885TSHR 3951/4885
US-20200270191-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES SCO2, AOC2, ODC1 ALOX15 218/4885ALDH1A1 1042/4885TSHR 4297/4885
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives SCO2, AOC2, ODC1 ALOX15 218/4885ALDH1A1 1042/4885TSHR 4297/4885

“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.