SCHEMBL5208103

SCHEMBL5208103

COc1ccc(CC(Cc2ccc(OC)cc2)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PTPRB P23467 1/20 0.52
HTT P42858 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTBP2 P56545 1/20 0.49
F2RL1 P55085 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LTA4H P09960 1/20 0.47
PTPN1 P18031 1/20 0.47
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL12373188 0.93 LMNA (0.51) LDHAALDH1A1LMNAPTPRBNPC1
SCHEMBL27649389 0.88 ALDH1A1 (0.55) LDHAALDH1A1LMNAPTPRBHTT
SCHEMBL8039407 0.87 ALDH1A1 (0.50) LDHAALDH1A1LMNAPTPRBHTT
SCHEMBL28136422 0.83 LDHA (0.53) LDHAHTTPOLBNPC1RAB9A
SCHEMBL3801397 0.83 LDHA (0.53) LDHAHTTPOLBNPC1RAB9A
SCHEMBL15708030 0.83 LDHA (0.53) LDHAHTTPOLBNPC1RAB9A
SCHEMBL16892957 0.83 PTPRB (0.51) LDHAALDH1A1PTPRBHTTSMN1; SMN2
SCHEMBL3266754 0.83 PTPRB (0.71) LDHAPTPRBHTTSMN1; SMN2F2RL1
SCHEMBL7676911 0.81 LDHA (0.51) LDHAHTTPOLBNPC1RAB9A
SCHEMBL4413232 0.81 LDHA (0.51) LDHAALDH1A1HTTPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603930-B1 PROTEIN-BOUND DERIVATIVES OF PLATINUM COMPLEXES CONTAINING CYCLOBUTANE 1.1-DICARBOXYLLATE LIGANDS KTB TUMORFORSCHUNGS GMBH (DE) 2007-08-29 EP claimed
US-7141691-B2 Protein-bound derivatives of platinum complexes containing cyclobutane1, 1-dicarboxyllate ligands KTB TUMORFORSCHUNGS GMBH (DE) 2006-11-28 US claimed
US-20060089341-A1 Protein-bound derivatives of platinum complexes containing cyclobutane1,1-dicarboxyllate ligands KTB TUMORFORSCHUNGS GMBH (DE) 2006-04-27 US claimed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
EP-1603930-B1 PROTEIN-BOUND DERIVATIVES OF PLATINUM COMPLEXES CONTAINING CYCLOBUTANE 1.1-DICARBOXYLLATE LIGANDS KTB TUMORFORSCHUNGS GMBH (DE) 2007-08-29 EP disclosed
US-7141691-B2 Protein-bound derivatives of platinum complexes containing cyclobutane1, 1-dicarboxyllate ligands KTB TUMORFORSCHUNGS GMBH (DE) 2006-11-28 US disclosed
US-20060089341-A1 Protein-bound derivatives of platinum complexes containing cyclobutane1,1-dicarboxyllate ligands KTB TUMORFORSCHUNGS GMBH (DE) 2006-04-27 US disclosed
EP-1603930-A1 PROTEIN-BOUND DERIVATIVES OF PLATINUM COMPLEXES CONTAINING CYCLOBUTANE 1.1-DICARBOXYLLATE LIGANDS KTB Tumorforschungs GmbH (DE) 2005-12-14 EP disclosed
WO-2004083223-A1 PROTEIN-BOUND DERIVATIVES OF PLATINUM COMPLEXES CONTAINING CYCLOBUTANE 1.1-DICARBOXYLLATE LIGANDS KTB TUMORFORSCHUNGS GMBH (DE) 2004-09-30 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-20060089341-A1 Protein-bound derivatives of platinum complexes containing cyclobutane1,1-dicarboxyllate ligands DDB1, DCLRE1A, PDCD1LG2 LDHA 1532/4885ALDH1A1 2885/4885LMNA 4654/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LDHA 2383/4885ALDH1A1 2858/4885LMNA 3118/4885

“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.