SCHEMBL4253909

SCHEMBL4253909

O=C(O)c1c(O)ccc(O)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ACMSD Q8TDX5 3/20 0.47
HNF4A P41235 3/20 0.47
DHFR P00374 1/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 2/20 0.44
GPR35 Q9HC97 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL29945054 0.86 ACMSD (0.52) CA12CA1CA2CA7CA9
SCHEMBL8747589 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11775117 0.83 THRB (0.54) CA12CA1CA2CA7CA9
SCHEMBL17202803 0.81 HNF4A (0.56) CA12CA1CA2CA7CA9
SCHEMBL27718034 0.79 HNF4A (0.53) CA12CA1CA2CA7CA9
SCHEMBL3446771 0.79 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL2846662 0.79 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL1760592 0.78 ESR2 (0.53) CA12CA2CA14ACMSDHNF4A
Hydrochloric Acid SCHEMBL27739302 0.78 HNF4A (0.52) CA12CA1CA2CA7CA9
SCHEMBL5694313 0.77 AKR1C3 (0.48) ACMSDHNF4ADHFRMCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215895-A1 Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2009-08-27 US disclosed
EP-1718602-A4 THERAPEUTIC AND CARRIER MOLECULES PEPLIN BIOLIPIDS PTY LTD (AU) 2007-12-12 EP disclosed
CN-1934072-A Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2007-03-21 CN disclosed
EP-1718602-A1 THERAPEUTIC AND CARRIER MOLECULES Peplin Biolipids Pty Ltd. (AU) 2006-11-08 EP disclosed
WO-2005073164-A1 THERAPEUTIC AND CARRIER MOLECULES PEPLIN BIOLIPIDS PTY LTD (AU) 2005-08-11 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 (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-20090215895-A1 Therapeutic and carrier molecules PHKG1, PHKG2, DGKB CA12 3090/4885CA1 3288/4885CA2 975/4885

“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.