SCHEMBL6716947

SCHEMBL6716947

CC(=O)OC1CC(C(C)C)CCC1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 2/20 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
SCHEMBL31571685 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL1691359 0.85 EPHX1 (0.31) EPHX1
SCHEMBL6274585 0.85 EPHX1 (0.31) EPHX1
SCHEMBL14256116 0.85 EPHX1 (0.31) EPHX1
SCHEMBL1536315 0.85 EPHX1 (0.31) EPHX1
SCHEMBL29962370 0.84
SCHEMBL10233880 0.83 TSHR (0.33) TSHR
SCHEMBL8713296 0.82 EPHX1 (0.30) EPHX1
SCHEMBL10233840 0.80 TSHR (0.33) TSHR
SCHEMBL19066069 0.80 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837973-B Fragrance materials 宝洁公司 2020-04-21 CN claimed
CN-116018124-A Composition for limiting or eliminating sweat odor perception 弗门尼舍有限公司 2023-04-25 CN disclosed
CN-115992113-A P-nitrobenzyl esterase mutant, coding gene and application 浙江工业大学 2023-04-21 CN disclosed
CN-111433337-A Perfume composition 狮王株式会社 2020-07-17 CN disclosed
US-20040209858-A1 Cycloalkylamides and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 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 (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-20040209858-A1 Cycloalkylamides and their therapeutic applications GAP43, SCN1B, GRIN2B CHRM2 1034/4885CHRM1 887/4885CHRM4 1220/4885

“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.