SCHEMBL3200798

SCHEMBL3200798

COC(=O)CC(=O)OC(C)C1CCCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.33
EPHX2 P34913 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
PSMB5 P28074 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
SCHEMBL25254474 0.96 IDH1 (0.31) IDH1IDO1TDO2
SCHEMBL20606916 0.90 TSHR (0.36) IDH1EPHX2
SCHEMBL7028275 0.90 TSHR (0.36) IDH1EPHX2
SCHEMBL28643647 0.89 LMNA (0.33) IDH1
SCHEMBL3375353 0.89 MGAM (0.32) IDO1TDO2
SCHEMBL19436038 0.88 MGAM (0.40) EPHX2
SCHEMBL3867901 0.88 MGAM (0.40) EPHX2
SCHEMBL3871745 0.88 MGAM (0.40) EPHX2
SCHEMBL12332966 0.88 MGAM (0.40) EPHX2
SCHEMBL233611 0.88 MGAM (0.40) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100034766-A1 Malodor Counteracting Compositions GIVAUDAN SA (CH) 2010-02-11 US claimed
EP-2079487-A1 MALODOR COUNTERACTING COMPOSITIONS Givaudan SA (CH) 2009-07-22 EP claimed
WO-2008049257-A1 MALODOR COUNTERACTING COMPOSITIONS GIVAUDAN SA (CH) 2008-05-02 WO claimed
EP-3122713-B1 PROCESS FOR THE PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL)ETHANONE DSM IP ASSETS BV (NL) 2019-04-24 EP disclosed
US-10005710-B2 Process of production of 1-(5,5-dimethylcyclohex-1-en-1-yl)ethanone and 1-(5,5-dimethylcyclohex-6-en-1-yl )ethanone DSM IP ASSETS B.V. (NL) 2018-06-26 US disclosed
US-10005710-B2 Process of production of 1-(5,5-dimethylcyclohex-1-en-1-yl)ethanone and 1-(5,5-dimethylcyclohex-6-en-1-yl )ethanone DSM IP ASSETS B.V. (NL) 2018-06-26 US disclosed
US-20170217864-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL )ETHANONE DSM IP ASSETS B.V. (NL) 2017-08-03 US disclosed
US-20170217864-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL )ETHANONE DSM IP ASSETS B.V. (NL) 2017-08-03 US disclosed
WO-2015144832-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL)ETHANONE DSM IP ASSETS B.V. (NL) 2015-10-01 WO disclosed
US-20100034766-A1 Malodor Counteracting Compositions GIVAUDAN SA (CH) 2010-02-11 US disclosed
EP-2079487-A1 MALODOR COUNTERACTING COMPOSITIONS Givaudan SA (CH) 2009-07-22 EP disclosed
WO-2008049257-A1 MALODOR COUNTERACTING COMPOSITIONS GIVAUDAN SA (CH) 2008-05-02 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 (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-20100034766-A1 Malodor Counteracting Compositions MTNR1A, MTNR1B, MC4R IDH1 4519/4885EPHX2 1508/4885IDO1 2617/4885
US-10005710-B2 Process of production of 1-(5,5-dimethylcyclohex-1-en-1-yl)ethanone and 1-(5,5-dimethylcyclohex-6-en-1-yl )ethanone EEF2K, CYP2E1, EIF2AK1 IDH1 1267/4885EPHX2 736/4885IDO1 944/4885
US-20170217864-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL )ETHANONE EEF2K, CYP2E1, EIF2AK1 IDH1 1267/4885EPHX2 736/4885IDO1 944/4885

“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.