SCHEMBL10106387

SCHEMBL10106387

C=C(C)C(=O)N(CC)C(=O)NCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL16900173 0.85
SCHEMBL10106480 0.83 ALDH1A1 (0.41) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL4405423 0.80 ALDH1A1 (0.48) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL10068166 0.79 ALDH1A1 (0.44) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL10106382 0.77 THRB (0.44) ALDH1A1
SCHEMBL8413747 0.76 CHRM1 (0.40) ALDH1A1
SCHEMBL18381052 0.76 ALDH1A1 (0.35) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL6682335 0.74 ALDH1A1 (0.44) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL10060080 0.73 THRB (0.47) ALDH1A1GAA
SCHEMBL12016262 0.72 ALDH1A1 (0.42) ALDH1A1GAAMMP1MMP2MMP3

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-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG ALDH1A1 3882/4885GAA 427/4885MMP1 4530/4885

“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.