SCHEMBL21064757

SCHEMBL21064757

CC(=O)O[C@@H]1C[C@@H](C)C(C)(C)[C@H](C)CC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.37
CHRM1 P11229 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS2 P35354 1/20 0.34
HSD11B1 P28845 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13177047 0.75 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL9073688 0.73
SCHEMBL19656394 0.72 PTGS2 (0.36) CHRM2CHRM1CHRM4CHRM3CYP2D6
Acetic Acid SCHEMBL27770131 0.72 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL11161495 0.71 TSHR (0.37) ALOX15HSD11B1ABCB1
SCHEMBL318713 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL15130720 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL12165125 0.70 CYP2D6 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL10266130 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL318712 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307383-B2 Cosmetic composition for preventing or ameliorating hypersensitive skin comprising cedrol or derivatives thereof, or pharmaceutically acceptable salts thereof UNIVERSITY OF SEOUL INDUSTRY COOPERATION FOUNDATION (KR) 2019-06-04 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-10307383-B2 Cosmetic composition for preventing or ameliorating hypersensitive skin comprising cedrol or derivatives thereof, or pharmaceutically acceptable salts thereof IL17A, IL23R, HLA-DRB1 CHRM2 4648/4885CHRM1 4664/4885CHRM4 4786/4885

“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.