SCHEMBL514914

SCHEMBL514914

CCOP(=O)(CC(=O)C=C(O)c1ccccc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NR1I2 O75469 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL514913 1.00 NFE2L2 (0.43) NFE2L2CA12CA1CA2CA9
SCHEMBL1305579 0.79 POLB (0.59) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL2902839 0.79 NR1I2 (0.42) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL2902845 0.79 NR1I2 (0.42) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL10999938 0.76 MEN1 (0.43) NR1I2MAPTMAPK1POLBLMNA
SCHEMBL24827501 0.75 NFE2L2 (0.57) NFE2L2CA12CA1CA2CA9
SCHEMBL27346395 0.75 NFE2L2 (0.57) NFE2L2CA12CA1CA2CA9
SCHEMBL7900085 0.74 POLB (0.44) NR1I2MAPTMAPK1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL27320823 0.73 NFE2L2 (0.55) NFE2L2CA12CA1CA2CA9
SCHEMBL425583 0.72 NR1I2 (0.54) NR1I2MAPTMAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 NFE2L2 3629/4885CA12 3796/4885CA1 2235/4885

“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.