SCHEMBL5085645

SCHEMBL5085645

COC(=O)c1cc(CCC(C)(C)O)cc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.45
CYP4F2 P78329 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21058272 0.85 LOXL2 (0.45) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL16749775 0.83 CA12 (0.56) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL19922221 0.83 CYP4A11 (0.60) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL5088454 0.82 ALDH1A1 (0.44) CYP4A11CYP4F2CA1CA2LOXL2
SCHEMBL14307058 0.78 KDM4E (0.41) CA12CA1CA2CA7CA9
SCHEMBL27984421 0.77 CYP4A11 (0.49) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1408485 0.75 CA12 (0.56) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL12303215 0.75 CA12 (0.56) CYP4A11CYP4F2CA12CA1CA2
Hydrochloric Acid SCHEMBL3006261 0.75 LOXL2 (0.53) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL31245849 0.75 MAPT (0.50) CYP4A11CYP4F2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF KEAP1, CBR1, PROC CYP4A11 62/4885CYP4F2 70/4885CA12 2190/4885

“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.