SCHEMBL8286254

SCHEMBL8286254

CC(C)(C)OC(=O)CC(=O)OC/C=C\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
EGFR P00533 1/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL9518796 0.88 MMP1 (0.54) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL3294678 0.84 MMP1 (0.48) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL3294677 0.84 MMP1 (0.48) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL5799249 0.82 MMP1 (0.49) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL28158105 0.82 MMP1 (0.49) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL5799253 0.82 MMP1 (0.49) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9518811 0.82 PAM (0.55) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9519601 0.80 PAM (0.53) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9519585 0.80 PAM (0.53) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL28466214 0.80 PAM (0.58) IDO1PAMEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO 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 (3 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-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 CACNA1B 2045/4885MMP1 7/4885MMP2 13/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CACNA1B 2045/4885MMP1 7/4885MMP2 13/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CACNA1B 1983/4885MMP1 7/4885MMP2 13/4885

“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.