SCHEMBL4666943

SCHEMBL4666943

COc1cc(CCC(=O)Nc2cccc(N)c2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.73
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL12599371 0.86 KMT2A (0.77) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12164773 0.85 LMNA (0.73) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12164785 0.85 LMNA (0.73) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14765631 0.84 LMNA (0.71) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12599740 0.83 LMNA (0.70) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12164774 0.82 LMNA (0.69) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12164780 0.82 LMNA (0.78) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1616778 0.81 ALDH1A1 (0.71) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10316455 0.81 LMNA (0.91) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL306804 0.81 RAB9A (0.65) LMNAKMT2ASMN1; SMN2HTTRAB9A

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-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
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
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-1732882-B1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-07-04 EP disclosed
EP-1732882-B1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-07-04 EP 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-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-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-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
EP-1732882-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Revotar Biopharmaceuticals AG (DE) 2006-12-20 EP disclosed
WO-2005090284-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2005-09-29 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 (3 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 LMNA 987/4885KMT2A 3906/4885MEN1 4309/4885
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE LMNA 1144/4885KMT2A 3853/4885MEN1 4336/4885
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE LMNA 3035/4885KMT2A 4414/4885MEN1 3748/4885

“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.