SCHEMBL9927129

SCHEMBL9927129

CCOP(=O)(Cc1cc(CO)cc(OC)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
PPARD Q03181 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
TSHR P16473 1/20 0.34
EGFR P00533 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1486664 0.89 ALDH1A1 (0.41) MAPTHTTCCNT1CDK9TSHR
SCHEMBL25614635 0.84 PTGS2 (0.50) MAPTHTTEGFRPTGS2
SCHEMBL11949136 0.81 MAPT (0.35) MAPTHTTCCNT1CDK9TSHR
SCHEMBL13913134 0.81 TSHR (0.50) PPARDMAPTHTTCCNT1CDK9
SCHEMBL1621101 0.77 DAO (0.53) DAOMAPTGRIN2DGRIN3BGRIN1
SCHEMBL7046484 0.77 PPARD (0.41) PPARDSMN1; SMN2PTGS2L3MBTL1
SCHEMBL30279733 0.76 CYP19A1 (0.36) PPARDMAPTCCNT1CDK9
SCHEMBL25612287 0.76 CYP19A1 (0.36) PPARDMAPTCCNT1CDK9
SCHEMBL3396258 0.76 EGFR (0.43) PPARDMAPTHTTTSHREGFR
SCHEMBL9512480 0.76 PPARD (0.45) PPARDMAPTHTTCCNT1CDK9

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-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2012-06-14 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-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER RB1, RBBP5, CCNB1 DAO 4617/4885PPARD 3013/4885MAPT 4265/4885

“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.