SCHEMBL1749707

SCHEMBL1749707

COC(=O)C(O)Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ACACB O00763 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
PTPRB P23467 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL1749708 1.00 HDAC1 (0.52) HDAC1HDAC6ESR1ESR2TDP1
SCHEMBL3910015 0.84 ESR1 (0.65) ESR1ESR2KMT2ANPC1RAB9A
SCHEMBL15689792 0.84 ESR1 (0.65) ESR1ESR2KMT2ANPC1RAB9A
SCHEMBL6946548 0.84 PTPRB (0.58) HDAC1HDAC6ESR1ESR2TDP1
SCHEMBL14540668 0.84 ESR1 (0.65) ESR1ESR2KMT2ANPC1RAB9A
SCHEMBL4773227 0.82 KMT2A (0.53) HDAC1HDAC6ESR1ESR2TDP1
SCHEMBL180106 0.82 NOS2 (0.52) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL20502249 0.82 NOS2 (0.47) ESR1ESR2ACACBL3MBTL1POLB
SCHEMBL180105 0.82 NOS2 (0.52) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL2165509 0.82 HDAC1 (0.40) HDAC1HDAC6ESR1ESR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9259000-B2 Auxin biosynthesis inhibitor RIKEN (JP) 2016-02-16 US disclosed
US-9259000-B2 Auxin biosynthesis inhibitor RIKEN (JP) 2016-02-16 US disclosed
US-9259000-B2 Auxin biosynthesis inhibitor RIKEN (JP) 2016-02-16 US disclosed
CN-103502204-B Growth hormone biosynthesis inhibitor RIKEN (JP) 2016-01-20 CN disclosed
US-20140031230-A1 AUXIN BIOSYNTHESIS INHIBITOR Riken Public University Corporation Yokohama City University 2014-01-30 US disclosed
US-20140031230-A1 AUXIN BIOSYNTHESIS INHIBITOR Riken Public University Corporation Yokohama City University 2014-01-30 US disclosed
US-20140031230-A1 AUXIN BIOSYNTHESIS INHIBITOR Riken Public University Corporation Yokohama City University 2014-01-30 US disclosed
EP-2682383-A1 AUXIN BIOSYNTHESIS INHIBITOR Riken (JP) 2014-01-08 EP disclosed
EP-2682383-A1 AUXIN BIOSYNTHESIS INHIBITOR Riken (JP) 2014-01-08 EP disclosed
CN-103502204-A Auxin biosynthesis inhibitor RIKEN 2014-01-08 CN disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US disclosed
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 US disclosed
US-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-22 US disclosed
US-20100035988-A1 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-11 US disclosed
US-7626054-B2 Biaromatic compounds which activate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-17 US disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 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 (6 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-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HDAC1 523/4885HDAC6 1059/4885ESR1 370/4885
US-20140031230-A1 AUXIN BIOSYNTHESIS INHIBITOR AGXT, AOX1, FDPS HDAC1 3802/4885HDAC6 3932/4885ESR1 1679/4885
US-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS PPARG, PPARA, PPARD HDAC1 443/4885HDAC6 858/4885ESR1 815/4885
US-20100035988-A1 Methods for activating PPAR gamma-type receptors PPARG, PPARA, PPARD HDAC1 520/4885HDAC6 977/4885ESR1 612/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HDAC1 755/4885HDAC6 1213/4885ESR1 788/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA HDAC1 477/4885HDAC6 1035/4885ESR1 672/4885

“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.