SCHEMBL4245548

SCHEMBL4245548

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
CA2 P00918 1/20 0.57
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
CYP3A4 P08684 2/20 0.51
MMP1 P03956 1/20 0.51
ATM Q13315 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
STAT3 P40763 1/20 0.47
POLB P06746 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
FOS P01100 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
SCHEMBL14221977 0.89 LDHA (0.51) LDHACA2ALOX15ALOX12CYP3A4
Phyllanthin SCHEMBL29350279 0.81 LDHA (0.57) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL4072201 0.81 CYP3A4 (0.75) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL4250071 0.81 LDHA (0.57) LDHACA2ALOX15ALOX12CYP3A4
Phyllanthin SCHEMBL503799 0.81 LDHA (0.57) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL4249167 0.81 LDHA (0.57) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL11911905 0.81 CYP3A4 (0.75) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL7929029 0.79 LDHA (0.59) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL29209157 0.79 LDHA (0.64) LDHACA2ALOX15ALOX12CYP3A4
SCHEMBL7940491 0.79 LDHA (0.59) LDHACA2ALOX15ALOX12CYP3A4

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 2074/4885ALOX15 185/4885
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD LDHA 266/4885CA2 2275/4885ALOX15 171/4885
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD LDHA 242/4885CA2 2074/4885ALOX15 185/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD LDHA 266/4885CA2 2275/4885ALOX15 171/4885

“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.