SCHEMBL422004

SCHEMBL422004

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FAAH O00519 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CAPN1 P07384 2/20 0.31
MCL1 Q07820 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL422016 0.86 FAAH (0.36) TRPV1ALDH1A1FAAHMMP2MMP9
SCHEMBL420333 0.78 BLM (0.41) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL21935015 0.75 GABRP (0.52) ALDH1A1FAAHMMP2MMP9CHRNB2
SCHEMBL22014058 0.73 FAAH (0.48) ALDH1A1FAAHMMP2MMP9MCL1
SCHEMBL5325285 0.72 NOD1 (0.39) ALDH1A1FAAHMMP2MMP9TSHR
SCHEMBL421702 0.72 TRPV1 (0.41) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL14281125 0.72 FAAH (0.44) ALDH1A1FAAHMMP2MMP9MCL1
SCHEMBL20041918 0.72 FAAH (0.44) ALDH1A1FAAHMMP2MMP9MCL1
SCHEMBL14396088 0.71 TRPV1 (0.53) TRPV1FAAH
SCHEMBL419516 0.71 TRPV1 (0.45) TRPV1TSHRTDP1CHRM2CHRM4

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

“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.