SCHEMBL3351858

SCHEMBL3351858

COC(=O)c1cc(C)cc(C(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CNR2 P34972 2/20 0.53
SLC7A5 Q01650 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
XDH P47989 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 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
SCHEMBL4731536 0.91 CA1 (0.60) TDP1CA12CA1CA2CA7
SCHEMBL70232 0.91 ATM (0.61) ATMCNR2SLC7A5TDP1CA12
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.87 CNR2 (0.66) ATMCNR2SLC7A5TDP1CA12
SCHEMBL2624954 0.84 TPMT (0.55) TDP1LMNAL3MBTL1MAPT
SCHEMBL2624952 0.83 CA12 (0.76) CNR2TDP1CA12CA1CA2
SCHEMBL14301421 0.83 CA12 (0.52) TDP1CA12CA1CA2CA7
SCHEMBL166126 0.83 TPMT (0.64) ATMCNR2SLC7A5TDP1CA12
SCHEMBL13898816 0.82 SLC7A5 (0.49) SLC7A5TDP1CA12CA1CA2
SCHEMBL14723959 0.82 KDM4E (0.60) TDP1CA12CA1CA2CA7
SCHEMBL147169 0.82 CA1 (0.71) ATMCNR2TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230195003-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-06-22 US disclosed
US-20230195003-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-06-22 US disclosed
US-20180155549-A1 ANTHRACENE-BASED ORGANIC DYE NATIONAL CHI NAN UNIVERSITY (TW) 2018-06-07 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME ATM 3280/4885CNR2 748/4885SLC7A5 2223/4885
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BACE1, APP, BACE2 ATM 3072/4885CNR2 1175/4885SLC7A5 3134/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 ATM 4020/4885CNR2 1143/4885SLC7A5 4233/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ATM 1783/4885CNR2 1450/4885SLC7A5 3754/4885

“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.