SCHEMBL9636201

SCHEMBL9636201

CC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SLC15A1 P46059 2/20 0.56
MMP9 P14780 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDC25B P30305 1/20 0.48
CA12 O43570 1/20 0.47
TSHR P16473 1/20 0.46
ABCB1 P08183 1/20 0.46
LMNA P02545 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL27981610 0.90 ABCB1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL16379300 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL12282025 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL12369646 0.90 SLC15A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL4900863 0.90 SLC15A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL4896293 0.90 SLC15A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL11785838 0.89 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1SLC6A2
SCHEMBL4908110 0.88 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL14194794 0.88 SLC15A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL18407618 0.88 CYP19A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134230-A Disaccharide Antitumor Agent Intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US claimed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
EP-3181547-A1 METHOD FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS Evonik Degussa GmbH (DE) 2017-06-21 EP disclosed
US-8476011-B1 Construction and use of catalogued nucleic acid libraries that contain advantageously adjusted representations of defined components BP CORPORATION NORTH AMERICA INC. (US) 2013-07-02 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-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS CBR3, CBR1, EPOR ALDH1A1 311/4885MAPK1 1540/4885L3MBTL1 3033/4885

“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.