SCHEMBL422012

SCHEMBL422012

CSCCC(OC(C)=O)C(N)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.36
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL421635 0.84 TRPV1 (0.39) RNPEPANPEPENPEPTDP1TRPV1
SCHEMBL419539 0.78 TDP1 (0.36) ANPEPENPEPTDP1TRPV1TSHR
SCHEMBL419550 0.76 TRPV1 (0.42) TDP1TRPV1TSHR
SCHEMBL419537 0.76 ALOX15 (0.39) TDP1TRPV1TSHR
SCHEMBL420402 0.75 TRPV1 (0.45) RNPEPTDP1TRPV1
SCHEMBL420403 0.75 TDP1 (0.39) TDP1TRPV1TSHR
SCHEMBL18255177 0.74 RNPEP (0.38) RNPEPANPEPENPEPMETAP2METAP1
SCHEMBL18251760 0.73 RNPEP (0.41) RNPEPANPEPENPEPTDP1TRPV1
SCHEMBL6244572 0.73 TDP1 (0.38) TDP1TRPV1TSHR
SCHEMBL421695 0.73 TDP1 (0.38) ENPEPTDP1TRPV1TSHR

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 RNPEP 3894/4885ANPEP 4697/4885ENPEP 3674/4885

“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.