SCHEMBL3366849

SCHEMBL3366849

O=C(O)Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.71
CA9 Q16790 5/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 2/20 0.71
KDM4E B2RXH2 5/20 0.57
LCK P06239 2/20 0.57
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
GLA P06280 3/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
IL2 P60568 2/20 0.52
ALDH1A2 O94788 1/20 0.52
ALDH2 P05091 1/20 0.52
ALDH1B1 P30837 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
FYN P06241 1/20 0.50

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
SCHEMBL3361018 0.89 CA12 (0.70) CA12CA9CA1CA2KDM4E
SCHEMBL382083 0.88 CA12 (0.74) CA12CA9CA1CA2KDM4E
SCHEMBL6228083 0.88 CA12 (0.74) CA12CA9CA1CA2KDM4E
SCHEMBL578576 0.87 CA12 (0.64) CA12CA9CA1CA2KDM4E
SCHEMBL724524 0.85 CA12 (0.61) CA12CA9CA1CA2KDM4E
SCHEMBL724528 0.85 CA12 (0.61) CA12CA9CA1CA2KDM4E
SCHEMBL8098515 0.84 CA12 (0.62) CA12CA9CA1CA2KDM4E
SCHEMBL8097205 0.83 CA12 (0.67) CA12CA9CA1CA2KDM4E
SCHEMBL152641 0.83 CA12 (1.00) CA12CA9CA1CA2KDM4E
SCHEMBL10048269 0.83 CA12 (1.00) CA12CA9CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
EP-1062361-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 2000-12-27 EP disclosed
US-5998593-A COUMARIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-12-07 US disclosed
WO-1999046402-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 1999-09-16 WO 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CA12 4856/4885CA9 4872/4885CA1 4868/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CA12 1810/4885CA9 1667/4885CA1 3434/4885

“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.