SCHEMBL59963

SCHEMBL59963

CC(C)CC(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPR3 P17342 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 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
SCHEMBL1330022 1.00 CA1 (0.40) CA1CA2CA7TDP1POLB
SCHEMBL14593924 0.91 CA1 (0.38) CA1CA2CA7TDP1POLB
SCHEMBL13028281 0.83 CA1 (0.34) CA1CA2CA7TDP1POLB
SCHEMBL13613729 0.83 CA14 (0.42) CA1CA2CA7TDP1POLB
SCHEMBL7551324 0.81 NOS1 (0.39) CA1CA2CA7TDP1POLB
SCHEMBL18068808 0.81 MMP8 (0.36) CA1CA2CA7CTSLCTSB
SCHEMBL7555924 0.81 NOS1 (0.39) CA1CA2CA7TDP1POLB
SCHEMBL28851150 0.81 CTSL (0.36) CA1CA2CA7CTSLCTSB
SCHEMBL30507610 0.80 CA1 (0.39) CA1CA2CA7TDP1POLB
SCHEMBL12139937 0.80 CA1 (0.39) CA1CA2CA7TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
US-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2011-11-17 US disclosed
WO-2011118855-A1 PATTERN FORMING METHOD AND RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2011-09-29 WO disclosed
US-7960578-B2 Method for the synthesis of peptides without solvent CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-06-14 US disclosed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 US disclosed
US-20100016631-A1 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2010-01-21 US disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US 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 (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-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 CA1 3779/4885CA2 3806/4885CA7 2508/4885
US-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE FNTA, LCAT, AAAS CA1 1147/4885CA2 3934/4885CA7 1743/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 CA1 4636/4885CA2 3726/4885CA7 2348/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 CA1 3779/4885CA2 3806/4885CA7 2508/4885
US-20100016631-A1 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT NRDC, NPPA, RTF1 CA1 562/4885CA2 2256/4885CA7 1365/4885

“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.