SCHEMBL11400720

SCHEMBL11400720

CC(C)COC(C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
TSHR P16473 3/20 0.35
SLC7A5 Q01650 2/20 0.34
RNPEP Q9H4A4 1/20 0.34
TP53 P04637 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGD P52209 1/20 0.32

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
SCHEMBL18039277 0.90 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5718402 0.90 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28281334 0.88 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3979990 0.82 PGD (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13312893 0.81 TSHR (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL26940409 0.78 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9628984 0.78 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16837638 0.77 MMP1 (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10593783 0.76 SLC1A3 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4368789 0.75 TSHR (0.38) MMP1MMP2MMP3MMP9MMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55092343-A None JP disclosed
US-8546388-B2 Heterocyclic TRPV1 receptor ligands PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 US disclosed
JP-S5592343-A PREPARATION OF OPTICALLY ACTIVE SUBSTITUTED ISOVALERIC ACID KATSUTA YOSHIO 1980-07-12 JP disclosed
US-4201787-A Isovaleric acid ester derivatives, and insecticides containing said derivatives DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1980-05-06 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-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 MMP1 3152/4885MMP2 4374/4885MMP3 4621/4885

“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.