SCHEMBL420612

SCHEMBL420612

CCC(C)C(OC(C)=O)C(C)N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 10/20 0.34
DPP8 Q6V1X1 6/20 0.34
DPP9 Q86TI2 6/20 0.34
DPP7 Q9UHL4 5/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL23343923 0.86 TSHR (0.37) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421677 0.84 TSHR (0.38) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL19359816 0.83 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL24186630 0.83 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL21126181 0.78 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421627 0.78 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421683 0.78 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL6789651 0.73 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL16546958 0.72 TDP1 (0.73) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL6206731 0.72 ALDH1A1 (0.42) TSHRTDP1CHRM2CHRM4CHRM1

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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TSHR 791/4885TDP1 2649/4885CHRM2 23/4885

“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.