SCHEMBL13312893

SCHEMBL13312893

CC(=O)C(OCC(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11400720 0.81 MMP1 (0.52) TSHRMMP1MMP2MMP3MMP9
SCHEMBL13312890 0.75 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL18039277 0.75 MMP1 (0.45) TSHRMMP1MMP2MMP3MMP9
SCHEMBL5718402 0.75 MMP1 (0.45) TSHRMMP1MMP2MMP3MMP9
SCHEMBL18716512 0.74 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15116682 0.69
SCHEMBL13611203 0.69
Acetic Acid SCHEMBL28618490 0.68 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL3979990 0.68 PGD (0.42) TSHRMMP1MMP2MMP3MMP9
SCHEMBL13554083 0.67 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TSHR 2214/4885MMP1 3152/4885MMP2 4374/4885

“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.