SCHEMBL3758628

SCHEMBL3758628

CCCCCCCCCCCCCCCCOC[C@@H](O)COCc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CASR P41180 2/20 0.57
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.49
TBXAS1 P24557 5/20 0.47
LPAR5 Q9H1C0 1/20 0.47
PLA2G4B P0C869 2/20 0.45
NR5A1 Q13285 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL9618015 0.99 CA1 (0.62) CA1CA2CASRTDP1L3MBTL1
SCHEMBL7171686 0.86 PLA2G4B (0.60) CASRTDP1USP2HTTLPAR5
SCHEMBL16614396 0.85 L3MBTL1 (0.67) CA1CA2TDP1L3MBTL1PLA2G4B
SCHEMBL5594970 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL13058722 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9662121 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9662170 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9662634 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9716318 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL27683549 0.84 CA1 (0.55) CA1CA2USP2HTTLPAR5

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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2010-11-25 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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES PIK3CA, PIK3CB, PIK3CG CA1 4208/4885CA2 3518/4885CASR 3998/4885

“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.