SCHEMBL1071682

SCHEMBL1071682

C=CCCCO[C@@H]1CCN(C(=O)NC(C(=O)O)C2CCCC2)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.35
ITGAV P06756 2/20 0.34
ITGB6 P18564 2/20 0.34
EPHX1 P07099 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
PIK3CD O00329 1/20 0.33
MMP1 P03956 4/20 0.33
MMP3 P08254 3/20 0.33
MMP7 P09237 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP2 P08253 2/20 0.33

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
SCHEMBL1072401 1.00 MMP13 (0.35) MMP13ITGAVITGB6EPHX1PRMT5
SCHEMBL3304630 0.87 REN (0.31) MMP13MMP1
SCHEMBL3309650 0.87 REN (0.31) MMP13MMP1
SCHEMBL1073190 0.86 REN (0.33) MMP13MMP1
SCHEMBL12963756 0.82 REN (0.34)
SCHEMBL1068683 0.81 F2 (0.34) MMP13MMP1
SCHEMBL31063148 0.80 PRMT5 (0.43) EPHX1PRMT5WDR77PIK3CD
SCHEMBL31063417 0.80 PRMT5 (0.43) EPHX1PRMT5WDR77PIK3CD
SCHEMBL20292517 0.80 ALDH1A1 (0.33)
SCHEMBL1072629 0.80 ALDH1A1 (0.33)

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 MMP13 422/4885ITGAV 2815/4885ITGB6 3297/4885

“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.