SCHEMBL422016

SCHEMBL422016

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL422004 0.86 TRPV1 (0.38) FAAHTRPV1ALDH1A1MMP2MMP9
SCHEMBL419537 0.78 ALOX15 (0.39) TRPV1TDP1
SCHEMBL20041918 0.74 FAAH (0.44) FAAHALDH1A1MMP2MMP9MCL1
SCHEMBL14281125 0.74 FAAH (0.44) FAAHALDH1A1MMP2MMP9MCL1
SCHEMBL419539 0.73 TDP1 (0.36) TRPV1TDP1
SCHEMBL420406 0.72 TRPV1 (0.41) TRPV1TDP1
SCHEMBL22014058 0.72 FAAH (0.48) FAAHALDH1A1MMP2MMP9MCL1
SCHEMBL419550 0.71 TRPV1 (0.42) TRPV1TDP1
SCHEMBL420402 0.70 TRPV1 (0.45) TRPV1TDP1
SCHEMBL422012 0.70 RNPEP (0.36) TRPV1ALDH1A1TDP1

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 FAAH 1016/4885TRPV1 1161/4885ALDH1A1 1739/4885

“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.