SCHEMBL4072201

SCHEMBL4072201

COc1ccc(CC(CO)C(CO)Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
MMP1 P03956 1/20 0.75
LDHA P00338 1/20 0.62
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
CA2 P00918 3/20 0.57
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
STAT3 P40763 1/20 0.51
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
ATM Q13315 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL11911905 1.00 CYP3A4 (0.75) CYP3A4MMP1LDHAALOX15ALOX12
SCHEMBL18526394 0.92 CYP3A4 (0.65) CYP3A4MMP1LDHAALOX15ALOX12
SCHEMBL14221975 0.89 CYP3A4 (0.61) CYP3A4MMP1LDHAALOX15ALOX12
SCHEMBL14221354 0.87 CYP3A4 (0.58) CYP3A4MMP1LDHAALOX15ALOX12
SCHEMBL16091528 0.87 CYP3A4 (0.58) CYP3A4MMP1LDHAALOX15ALOX12
(+)-Secoisolariciresinol SCHEMBL30605875 0.86 CYP3A4 (1.00) CYP3A4MMP1ALOX15ALOX12FOS
(+)-Secoisolariciresinol SCHEMBL30334899 0.86 CYP3A4 (1.00) CYP3A4MMP1ALOX15ALOX12FOS
(+)-Secoisolariciresinol SCHEMBL325398 0.86 CYP3A4 (1.00) CYP3A4MMP1ALOX15ALOX12FOS
(+)-Secoisolariciresinol SCHEMBL21028109 0.86 CYP3A4 (1.00) CYP3A4MMP1ALOX15ALOX12FOS
(+)-Secoisolariciresinol SCHEMBL31677395 0.86 CYP3A4 (1.00) CYP3A4MMP1ALOX15ALOX12FOS

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
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-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-8691845-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS LLC (US) 2014-04-08 US disclosed
EP-2076125-B1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2013-12-04 EP 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-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

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 CYP3A4 817/4885MMP1 2635/4885LDHA 242/4885
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD CYP3A4 927/4885MMP1 2535/4885LDHA 266/4885
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD CYP3A4 817/4885MMP1 2635/4885LDHA 242/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD CYP3A4 927/4885MMP1 2535/4885LDHA 266/4885

“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.