SCHEMBL13694745

SCHEMBL13694745

CCOP(=O)(CCc1cc(C(=O)OC)ccc1C(F)(F)F)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.50
▸ EPHX2 P34913 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ TAOK1 Q7L7X3 1/20 0.36
▸ TAOK3 Q9H2K8 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL13531125 0.88 SRD5A2 (0.40) NOTUMEPHX2MRGPRX4
SCHEMBL13529953 0.80 NOTUM (0.46) NOTUMEPHX2KDM4EALDH1A1LMNA
SCHEMBL24214166 0.79 NOTUM (0.60) NOTUMEPHX2KDM4EALDH1A1LMNA
SCHEMBL13531124 0.79 GAA (0.39) KDM4EALDH1A1LMNAHTTKIF11
SCHEMBL21429666 0.78 KDM4E (0.44) KDM4EALDH1A1LMNAL3MBTL1MAPT
SCHEMBL10726455 0.75 CYP4A11 (0.54) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL31337586 0.75 NOTUM (0.61) NOTUMEPHX2KDM4EALDH1A1LMNA
Bromide SCHEMBL30583315 0.74 NOTUM (0.60) NOTUMEPHX2KDM4EALDH1A1LMNA
SCHEMBL3913814 0.73 NOTUM (0.58) NOTUMEPHX2KDM4EALDH1A1LMNA
SCHEMBL3902837 0.72 NOTUM (0.60) NOTUMEPHX2KDM4EALDH1A1LMNA

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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG NOTUM 2093/4885EPHX2 2349/4885KDM4E 3404/4885

“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.

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