SCHEMBL10087259

SCHEMBL10087259

C=C1OB(c2ccc(NC(=O)CCC(=O)O)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
POLB P06746 3/20 0.46
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL10087271 0.89 L3MBTL1 (0.46) CYP1A1POLBL3MBTL1CA12CA1
SCHEMBL10087260 0.85 CA1 (0.36) POLBKMT2ACA12CA1CA2
SCHEMBL3015460 0.82 CYP1A1 (0.54) CYP1A1POLBBCHEL3MBTL1MAPT
SCHEMBL13622824 0.82 SMN1; SMN2 (0.42) CYP1A1POLBL3MBTL1MAPTKMT2A
SCHEMBL13578707 0.81 CA1 (0.41) MAPTKMT2ACA12CA1CA2
SCHEMBL10382417 0.76 ALDH1A1 (0.51) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL13100287 0.74 CA1 (0.36) CA12CA1CA2CA4CA9
SCHEMBL12350707 0.73 MAP4K4 (0.40) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL12350692 0.73 NAMPT (0.37) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL90903 0.72 NPC1 (0.41) MAPTKMT2ACA12CA1CA2

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
US-8114381-B2 Radiolabeled compounds and compositions, their precursors and methods for their production THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-02-14 US disclosed
US-20080038191-A1 Radiolabeled Compounds And Compositions, Their Precursors And Methods For Their Production THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-14 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-20080038191-A1 Radiolabeled Compounds And Compositions, Their Precursors And Methods For Their Production GMNN, MEN1, NCLN CYP1A1 3561/4885POLB 408/4885BCHE 2180/4885

“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.