SCHEMBL4254058

SCHEMBL4254058

COc1ccc(CCCCc2ccc(OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.72
IGF1R P08069 1/20 0.68
ALOX15 P16050 1/20 0.68
TAAR1 Q96RJ0 1/20 0.67
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAOB P27338 2/20 0.59
IDO1 P14902 1/20 0.58
ALOX5 P09917 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
SIGMAR1 Q99720 1/20 0.57
AOC3 Q16853 1/20 0.57
F2RL1 P55085 1/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55

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
SCHEMBL11007798 0.97 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL9509173 0.97 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL10571532 0.97 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL17400406 0.97 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL244070 0.95 CALM1 (0.79) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL10569081 0.93 MAOB (0.70) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL10570923 0.91 CALM1 (0.62) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL10568997 0.91 CASP3 (0.63) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL18857088 0.91 ACHE (0.65) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL581719 0.91 CASP3 (0.63) CALM1IGF1RALOX15TAAR1TDP1

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 15 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
EP-0840606-B1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORP (US) 2000-06-07 EP disclosed
US-5919768-A COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-07-06 US 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 (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 CALM1 3946/4885IGF1R 1711/4885ALOX15 185/4885
US-20090306070-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD CALM1 3890/4885IGF1R 1538/4885ALOX15 171/4885
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD CALM1 3946/4885IGF1R 1711/4885ALOX15 185/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD CALM1 3890/4885IGF1R 1538/4885ALOX15 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.