SCHEMBL4106017

SCHEMBL4106017

CCOC(=O)/C=C/C(=O)OCC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
CACNA1B Q00975 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MDM2 Q00987 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MDM4 O15151 1/20 0.48

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
SCHEMBL4106021 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4106013 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL12809162 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11230445 0.92 LMNA (0.57) CA12CA7CA9CA14MAPT
SCHEMBL11230448 0.87 HCAR2 (0.56) CA12CA7CA9CA14MAPT
SCHEMBL11230453 0.87 HCAR2 (0.56) CA12CA7CA9CA14MAPT
SCHEMBL112366 0.87 LMNA (0.65) CA12CA7CA9CA14MAPT
SCHEMBL112365 0.87 LMNA (0.65) CA12CA7CA9CA14MAPT
SCHEMBL1532460 0.87 LMNA (0.65) CA12CA7CA9CA14MAPT
SCHEMBL827239 0.87 LMNA (0.65) CA12CA7CA9CA14MAPT

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-20090047223-A1 Improvements in or Related to Organic Compoounds GIVAUDAN SA (CH) 2009-02-19 US claimed
EP-1966117-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2008-09-10 EP claimed
WO-2007071085-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-06-28 WO claimed
US-20090047223-A1 Improvements in or Related to Organic Compoounds GIVAUDAN SA (CH) 2009-02-19 US disclosed
EP-1966117-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2008-09-10 EP disclosed
WO-2007071085-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-06-28 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-20090047223-A1 Improvements in or Related to Organic Compoounds LPO, OTC, OAT CA12 519/4885CA1 1217/4885CA2 1007/4885

“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.