SCHEMBL4248652

SCHEMBL4248652

CCOc1ccc(CCCCc2ccc(OCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LTA4H P09960 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50

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
SCHEMBL10575040 0.98 NQO1 (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL12251519 0.94 MAPT (0.66) NQO1MAPTRAB9AL3MBTL1SIGMAR1
SCHEMBL10570997 0.94 RAB9A (0.61) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL7582735 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL12251523 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL615024 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL8521940 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL170615 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL39534 0.92 MAPT (0.64) NQO1MAPTRAB9AL3MBTL1TSHR
SCHEMBL8986268 0.91 NQO1 (0.61) NQO1MAPTRAB9AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4834905-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed
US-4627933-A ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-12-09 US disclosed
EP-0104327-A2 Use of cyclic derivatives as components of liquid cristals MERCK PATENT GmbH (DE) 1984-04-04 EP 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-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD NQO1 933/4885MAPT 315/4885RAB9A 3064/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD NQO1 933/4885MAPT 315/4885RAB9A 3064/4885

“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.