SCHEMBL6744835

SCHEMBL6744835

CCCCCC(O)C#Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP12 P39900 2/20 0.49
CSNK1E P49674 1/20 0.44
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APP P05067 1/20 0.38
HMGCR P04035 1/20 0.38
KCNH2 Q12809 1/20 0.38
ASAH1 Q13510 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL30669395 0.98 MMP2 (0.51) MMP2MMP9MMP12CSNK1EKMT2A
SCHEMBL9277673 0.98 MMP2 (0.51) MMP2MMP9MMP12CSNK1EKMT2A
SCHEMBL12003637 0.95 MMP12 (0.43) MMP2MMP9MMP12CSNK1EKMT2A
SCHEMBL614604 0.89 KMT2A (0.42) MMP2MMP9MMP12KMT2ANPC1
Tetrabuthylammonium SCHEMBL29130286 0.85 MMP2 (0.44) MMP2MMP9MMP12CSNK1ECNR2
SCHEMBL29144869 0.84 APP (0.37) MMP2MMP9MMP12KMT2ALMNA
Tetrabuthylammonium SCHEMBL29130287 0.84 MMP2 (0.44) MMP2MMP9MMP12CSNK1ECNR2
SCHEMBL5804621 0.81 CSNK1E (0.48) MMP2MMP9MMP12CSNK1EKMT2A
SCHEMBL2569114 0.81 LMNA (0.48) MMP2MMP9MMP12KMT2ANPC1
SCHEMBL30524148 0.79 MMP2 (0.44) MMP2MMP9MMP12CSNK1EKMT2A

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
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed
US-6689905-B2 REACTING 2,6-DIMETHYL-3-OXO-BICYCLO(2.2.1)HEPTANE-1-CARBOXYLIC ACID, SEPARATING THE DIASTEREOMERS USING REVERSED PHASE CHROMATOGRAPHY WYETH 2004-02-10 US disclosed
US-20030018211-A1 Stereoisomers of 3-aminotricyclo[2.2.1.0(2.6)]heptane-1,3-dicarboxylic acid WYETH 2003-01-23 US disclosed
WO-2003002513-A1 STEREOISOMERS OF 3-AMINOTRICYCLO[2.2.1.0(2,6)]HEPTANE-1,3-DICARBOXYLIC ACID WYETH (US) 2003-01-09 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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MMP2 2914/4885MMP9 2637/4885MMP12 3192/4885
US-20030018211-A1 Stereoisomers of 3-aminotricyclo[2.2.1.0(2.6)]heptane-1,3-dicarboxylic acid SLC10A1, PKD1, SLC10A2 MMP2 3745/4885MMP9 3431/4885MMP12 4528/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MMP2 2914/4885MMP9 2637/4885MMP12 3192/4885

“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.