SCHEMBL25054801

SCHEMBL25054801

CCC1CC2CC(C)C(O)(c3ccccc3-c3cccc(Cl)c3)C(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
CTSD P07339 2/20 0.35
CHRM1 P11229 12/20 0.34
CHRM3 P20309 10/20 0.34
HSD11B1 P28845 2/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 1/20 0.33
CXCR3 P49682 1/20 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
SCHEMBL23618648 0.88 PDK2 (0.41) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL25054771 0.83 PDK2 (0.35) PDK2HSD11B1CXCR3
SCHEMBL23606148 0.83 PDK2 (0.48) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL25054827 0.83 PDK2 (0.48) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL24605263 0.83 PDK2 (0.38) PDK2CHRM1CHRM3HSD11B1CHRM2
SCHEMBL23318788 0.81 CXCR3 (0.33) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL23318890 0.80 CXCR3 (0.34) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL25035892 0.77 PDK2 (0.35) PDK2CTSDCHRM1CHRM3HSD11B1
SCHEMBL24331254 0.76 CHRM1 (0.37) PDK2CHRM1CHRM3HSD11B1CHRM2
SCHEMBL24618578 0.75 PDK2 (0.37) PDK2HSD11B1

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-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-21 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-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus NCL, NCLN, NNMT PDK2 2350/4885CTSD 3399/4885CHRM1 830/4885

“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.