SCHEMBL419562

SCHEMBL419562

COCC(OC(C)=O)C(N)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
PGD P52209 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL420369 0.82 TDP1 (0.42) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL419520 0.79 TDP1 (0.38) TDP1TSHRTRPV1PGD
SCHEMBL420403 0.79 TDP1 (0.39) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL21014309 0.78 TDP1 (0.53) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL6244572 0.78 TDP1 (0.38) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL419522 0.78 TSHR (0.41) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL421695 0.78 TDP1 (0.38) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL21014180 0.77 TDP1 (0.52) TDP1TSHRTRPV1PGDCHRM2
SCHEMBL421716 0.76 TDP1 (0.37) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL1581133 0.75 TDP1 (0.53) TDP1TSHRTRPV1PGDCHRM2

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 TDP1 2649/4885TSHR 791/4885TRPV1 1161/4885

“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.