SCHEMBL12417876

SCHEMBL12417876

CCCC1CC(O)C(CC)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
OGA O60502 1/20 0.31
GBA1 P04062 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
SCHEMBL12994233 0.84 CHRM5 (0.32) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL13122987 0.84 CHRM5 (0.32) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL12417871 0.83 CHRM5 (0.34) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL17637745 0.80 CHRM2 (0.30) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL23848862 0.79 PYGB (0.35) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL13519745 0.78 OGA (0.33) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL12417930 0.76 CHRM5 (0.32) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL5161684 0.75
SCHEMBL13814326 0.75
SCHEMBL19500456 0.75 CYP1A2 (0.34) CHRM5CHRM1CHRM3CHRM2CHRM4

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CHRM5 4373/4885CHRM1 2987/4885CHRM3 4785/4885

“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.