SCHEMBL1269359

SCHEMBL1269359

COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)C(c1ccc(C)cc1)C(C)(C)O3)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.35
DPP4 P27487 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL29567882 1.00 TLR4 (0.35) TLR4DPP4CA1CA2CA9
SCHEMBL2905278 1.00 TLR4 (0.35) TLR4DPP4CA1CA2CA9
Hydrochloric Acid SCHEMBL2912744 0.99 TLR4 (0.34) TLR4DPP4CA1CA2CA9
Hydrochloric Acid SCHEMBL2788412 0.99 TLR4 (0.34) TLR4DPP4CA1CA2CA9
Bromide SCHEMBL2910934 0.99 TLR4 (0.34) TLR4DPP4CA1CA2CA9
SCHEMBL2905426 0.92 CA1 (0.33) TLR4CA1CA2CA9CA14
SCHEMBL2778461 0.92 KMT2A (0.36) TLR4DPP4NPSR1ACHE
SCHEMBL1268230 0.90 AKT1 (0.31) TLR4ALDH1A1
SCHEMBL29487577 0.90 AKT1 (0.31) TLR4ALDH1A1
SCHEMBL2904367 0.90 AKT1 (0.31) TLR4ALDH1A1

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 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291069-A1 METHODS OF TREATING A DIABETIC EMBRYOPATHY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-11-18 US claimed
US-20100273852-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US claimed
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP claimed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US claimed
EP-2079455-B1 PHARMACEUTICAL COMPOSITION COMPRISING A DIHYDROBENZOFURANYL ISOINDOLINE AND A LIPOPHILIC COMPONENT TAKEDA PHARMACEUTICAL (JP) 2010-01-27 EP claimed
US-20090030064-A1 Sugar-coated preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US claimed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP claimed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US claimed
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP claimed
US-7420070-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKODA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-02 US claimed
US-20050118202-A1 Solid compositions containing compounds unstable to oxygen and method for stabilization thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-06-02 US claimed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP claimed
EP-1457207-A1 SOLID COMPOSITIONS CONTAINNG COMPOUNDS UNSTABLE TO OXYGEN AND METHOD FOR STABILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP claimed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP claimed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US claimed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP claimed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US claimed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US claimed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050118202-A1 Solid compositions containing compounds unstable to oxygen and method for stabilization thereof SCO2, PROC, TTPA TLR4 4004/4885DPP4 4381/4885CA1 167/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO TLR4 3540/4885DPP4 4765/4885CA1 882/4885
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, PARK7, DHPS TLR4 4247/4885DPP4 1744/4885CA1 1908/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 TLR4 3854/4885DPP4 4599/4885CA1 943/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 TLR4 1363/4885DPP4 3034/4885CA1 3702/4885

“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.