SCHEMBL16800710

SCHEMBL16800710

CCC(CC)OC(=O)/C=C/C=C/C(=O)OC(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
HCAR2 Q8TDS4 5/20 0.37
ATM Q13315 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL16800511 0.92 HCAR2 (0.45) CTSKHCAR2
SCHEMBL20563811 0.92 HCAR2 (0.45) CTSKHCAR2
SCHEMBL2537821 0.90 HCAR2 (0.44) CTSKHCAR2ATMKEAP1NFE2L2
SCHEMBL15355448 0.90 HCAR2 (0.44) CTSKHCAR2ATMKEAP1NFE2L2
SCHEMBL5175845 0.90 HCAR2 (0.44) CTSKHCAR2ATMKEAP1NFE2L2
SCHEMBL16800562 0.90 HCAR2 (0.48) HCAR2ATM
SCHEMBL15855999 0.84 CTSK (0.36) CTSKHCAR2ATM
SCHEMBL9068914 0.84 CTSK (0.36) CTSKHCAR2ATM
SCHEMBL9396192 0.82 MAPK1 (0.33)
SCHEMBL9396194 0.82 MAPK1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-05 US disclosed
US-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-05 US disclosed
WO-2015084265-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-11 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 (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-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID MUC1, ADIPOR1, FASN CTSK 2749/4885HCAR2 35/4885ATM 2161/4885

“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.