SCHEMBL420336

SCHEMBL420336

CC(=O)OC(CCOC=O)C(C)N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
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
SCHEMBL420387 0.85 TRPV1 (0.33) TRPV1TDP1
SCHEMBL421680 0.82 TDP1 (0.39) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL2160919 0.78 TSHR (0.44) TRPV1TSHRALOX15CHRM2CHRM4
SCHEMBL421702 0.74 TRPV1 (0.41) TRPV1TSHRALOX15TDP1CHRM2
SCHEMBL420333 0.73 BLM (0.41) TRPV1TSHRALOX15TDP1CHRM2
SCHEMBL420644 0.73 TRPV1 (0.47) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL420369 0.72 TDP1 (0.42) TRPV1TSHRALOX15TDP1CHRM2
SCHEMBL421635 0.71 TRPV1 (0.39) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL420341 0.71 TRPV1 (0.50) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL3392022 0.71 TSHR (0.41) TRPV1TSHRALOX15CHRM2CHRM4

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 1161/4885TSHR 791/4885ALOX15 4521/4885

“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.