SCHEMBL6456147

SCHEMBL6456147

CC(C)(O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.32
HSD11B1 P28845 2/20 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
SCHEMBL26709231 0.79 CYP2C9 (0.38) CYP2C9EPHX2EPHX1HSD11B1
SCHEMBL4067305 0.77 CYP2C9 (0.38) CYP2C9EPHX2EPHX1
SCHEMBL12193712 0.75 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL26370610 0.72 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL25630117 0.72 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL26364080 0.72 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL2982997 0.72 CYP2C9 (0.41) CYP2C9EPHX2HSD11B1
SCHEMBL3282039 0.72 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL22073526 0.72 CYP2C9 (0.35) CYP2C9EPHX2
SCHEMBL6346244 0.72 CYP2C9 (0.36) CYP2C9EPHX2EPHX1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872846-B2 Process for preparation of tertiary alcohol esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
US-20040015006-A1 Efficient one pot process DAICEL CHEMICAL INDUSTRIAL, LTD. (JP) 2004-01-22 US disclosed
EP-1344762-A1 PROCESS FOR PREPARATION OF TERTIARY ALCOHOL ESTERS Daicel Chemical Industries, Ltd. (JP) 2003-09-17 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 (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-20040015006-A1 Efficient one pot process ADH1A, ADH1C, ADH5 CYP2C9 487/4885EPHX2 681/4885EPHX1 1397/4885

“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.