SCHEMBL7071376

SCHEMBL7071376

COc1cc[c]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL11802233 0.91 CYP1A2 (0.41) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL7708325 0.86 ALDH1A1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL7705602 0.84 ACHE (0.35) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7702832 0.82 MGAM (0.46) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7708151 0.82 CRHR1 (0.38) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL7198230 0.81 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL6189538 0.81 ALDH1A1 (0.39) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL3473560 0.81 BRD4 (0.33)
SCHEMBL5676543 0.80 KMT2A (0.40) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL6681241 0.80 CA12 (0.37) PDE4BCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613493-B2 Formed by nitrating a polyvinylphenol or a novalak and reacting the the hydroxy group with with a halide comprising an acid labile protecting group, such as 2-(1-bromoethyl)-1,3-difluorobenzene HYNIX SEMICONDUCTOR INC (KR) 2003-09-02 US claimed
US-20030013036-A1 Photoresist polymer and composition having nitro groups HYNIX SEMICONDUCTOR INC. (KR) 2003-01-16 US claimed
EP-3083649-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2016-10-26 EP disclosed
WO-2015095188-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-25 WO disclosed
WO-2014085413-A1 DISUBSTITUTED OXAZOLIDIN-2-ONES 5-HYDROXYTRYPTAMINE RECEPTOR 2B ACTIVITY MODULATORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-05 WO disclosed
CN-102648255-A Compositions and methods incorporating photocatalysts PROCTER & GAMBLE 2012-08-22 CN disclosed
CN-102428151-A Compositions and methods incorporating photocatalysts PROCTER & GAMBLE 2012-04-25 CN disclosed
US-6613493-B2 Formed by nitrating a polyvinylphenol or a novalak and reacting the the hydroxy group with with a halide comprising an acid labile protecting group, such as 2-(1-bromoethyl)-1,3-difluorobenzene HYNIX SEMICONDUCTOR INC (KR) 2003-09-02 US disclosed
US-20030013036-A1 Photoresist polymer and composition having nitro groups HYNIX SEMICONDUCTOR INC. (KR) 2003-01-16 US disclosed
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed