SCHEMBL2665747

SCHEMBL2665747

COC(=O)c1cc(-c2ccccc2)oc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
HPGD P15428 6/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX12 P18054 1/20 0.56
LMNA P02545 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL24663122 0.87 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL12876531 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3914366 0.84 NPC1 (0.70) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3100114 0.84 TSHR (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28745641 0.84 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3102333 0.84 ALDH1A1 (0.62) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3091048 0.84 SLC6A4 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1597664 0.84 RAB9A (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3111952 0.84 NR4A1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3101891 0.84 ALDH1A1 (0.57) ALDH1A1HPGDMAPTMEN1KMT2A

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-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
US-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
US-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
EP-1940372-B1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-09 EP disclosed
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-23 US disclosed
US-7923473-B2 Moderate binding of selectins ; chronic obstructive pulmonary disease; Crohn's disease; sepsis; antiinflammatory agents; skin disorders; antiarthritic agents; cardiovascular disorders; autoimmune diseases ' REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-12 US disclosed
US-7923473-B2 Moderate binding of selectins ; chronic obstructive pulmonary disease; Crohn's disease; sepsis; antiinflammatory agents; skin disorders; antiarthritic agents; cardiovascular disorders; autoimmune diseases ' REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-12 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
EP-1764093-A1 Novel aromatic compounds and their use in medical applications Revotar Biopharmaceuticals AG (DE) 2007-03-21 EP disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS SELP, SELL, SELE ALDH1A1 328/4885HPGD 1382/4885MAPT 2028/4885
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE ALDH1A1 239/4885HPGD 1376/4885MAPT 1963/4885
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 ALDH1A1 424/4885HPGD 134/4885MAPT 4648/4885
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE ALDH1A1 2010/4885HPGD 2227/4885MAPT 4335/4885

“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.