SCHEMBL25035892

SCHEMBL25035892

CC1CC2CC(C)C(O)(c3cc4ccccc4cc3-c3cccc(Cl)c3)C(C1)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
CXCR3 P49682 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HSD11B1 P28845 2/20 0.32
ADORA1 P30542 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CTSD P07339 1/20 0.32
CHRM1 P11229 6/20 0.32
CHRM3 P20309 5/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 1/20 0.31
PGR P06401 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL23618648 0.89 PDK2 (0.41) PDK2HSD11B1CTSDCHRM1CHRM3
SCHEMBL24316331 0.86 PDK2 (0.40) PDK2CXCR3HSD11B1ADORA1SLC6A3
SCHEMBL23606013 0.85 CHRM1 (0.37) PDK2CXCR3HSD11B1CHRM1CHRM3
SCHEMBL24331254 0.85 CHRM1 (0.37) PDK2CXCR3HSD11B1CHRM1CHRM3
SCHEMBL25038246 0.84 CYP1A2 (0.35) PDK2CXCR3PIM1PIM2HSD11B1
SCHEMBL24316938 0.80 PDK2 (0.39) PDK2CXCR3HSD11B1ADORA1CHRM1
SCHEMBL25506635 0.78 PDK2 (0.35) PDK2HSD11B1
SCHEMBL25507055 0.78 PDK2 (0.39) PDK2HSD11B1PGRSMN1; SMN2
SCHEMBL25054801 0.77 PDK2 (0.39) PDK2CXCR3HSD11B1CTSDCHRM1
SCHEMBL24618578 0.76 PDK2 (0.37) PDK2HSD11B1SLC6A3

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-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-16 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-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 PDK2 3491/4885CXCR3 3163/4885PIM1 3487/4885

“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.