SCHEMBL19204512

SCHEMBL19204512

CC#CC1(O)CCCC(C)(C)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11772816 0.81
SCHEMBL1964310 0.76
SCHEMBL4984709 0.76 ALDH1A1 (0.52) ALDH1A1
SCHEMBL928328 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11773747 0.74 ALDH1A1 (0.48) PAX8ALDH1A1
SCHEMBL6456132 0.74 ALDH1A1 (0.48) PAX8ALDH1A1
SCHEMBL1966547 0.74 ALDH1A1 (0.48) PAX8ALDH1A1
SCHEMBL4422406 0.74 ALDH1A1 (0.48) PAX8ALDH1A1
SCHEMBL11774123 0.74 ALDH1A1 (0.48) PAX8ALDH1A1
SCHEMBL23075464 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 PAX8 4881/4885ALDH1A1 555/4885
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 PAX8 4881/4885ALDH1A1 555/4885

“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.