SCHEMBL4247499

SCHEMBL4247499

COc1ccc(C[C@@H](C=O)[C@@H](C=O)Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
CA2 P00918 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ATM Q13315 2/20 0.53
ALDH1A1 P00352 3/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
ALOX15 P16050 2/20 0.51
ALOX12 P18054 2/20 0.51
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
STAT3 P40763 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL2568835 0.92 LDHA (0.55) LDHACA2KDM4EATMALDH1A1
SCHEMBL31666050 0.92 LDHA (0.55) LDHACA2KDM4EATMALDH1A1
SCHEMBL2575301 0.92 LDHA (0.55) LDHACA2KDM4EATMALDH1A1
SCHEMBL14221347 0.91 LDHA (0.51) LDHACA2KDM4EATMALDH1A1
SCHEMBL18526398 0.90 ALOX15 (0.57) LDHACA2KDM4EATMALDH1A1
SCHEMBL8076708 0.86 LDHA (0.60) LDHACA2KDM4EATMALDH1A1
SCHEMBL5792794 0.84 LDHA (0.58) LDHACA2KDM4EATMALDH1A1
SCHEMBL3388464 0.83 LDHA (0.57) LDHACA2KDM4EATMALDH1A1
SCHEMBL4624772 0.83 LDHA (0.57) LDHACA2KDM4EATMALDH1A1
SCHEMBL30644304 0.81 ALDH1A1 (0.69) LDHACA2KDM4EATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044121-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2017-02-16 US disclosed
US-20170044121-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2017-02-16 US disclosed
US-9481660-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS, LLC (US) 2016-11-01 US disclosed
US-9481660-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS, LLC (US) 2016-11-01 US disclosed
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2014-08-07 US disclosed
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2014-08-07 US disclosed
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2013-02-28 US disclosed
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2013-02-28 US disclosed
US-8232277-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS LLC (US) 2012-07-31 US disclosed
US-8232277-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS LLC (US) 2012-07-31 US disclosed
US-8232277-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS LLC (US) 2012-07-31 US disclosed
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2009-12-10 US disclosed
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2009-12-10 US disclosed
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2009-12-10 US disclosed
EP-2076125-A2 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE Erimos Pharmaceuticals LLC (US) 2009-07-08 EP disclosed
WO-2008042921-A2 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2008-04-10 WO disclosed
WO-2008042921-A2 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2008-04-10 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 (4 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-20170044121-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD LDHA 242/4885CA2 2074/4885KDM4E 2975/4885
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD LDHA 266/4885CA2 2275/4885KDM4E 3192/4885
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD LDHA 242/4885CA2 2074/4885KDM4E 2975/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD LDHA 266/4885CA2 2275/4885KDM4E 3192/4885

“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.