SCHEMBL96351

SCHEMBL96351

CC(CO)COc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAOA P21397 1/20 0.53
PTGS1 P23219 1/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
CYP2D6 P10635 3/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
FFAR1 O14842 1/20 0.47
SCN4A P35499 2/20 0.47
TRPA1 O75762 2/20 0.47
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL31032827 1.00 LMNA (0.64) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL18969804 1.00 LMNA (0.64) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL15255039 0.89 CYP2C9 (0.52) LMNAPTGS1CYP2D6FFAR1NPC1
SCHEMBL13385106 0.87 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL14595237 0.86 TSHR (0.59) LMNAMTNR1AMTNR1BADRB2ADRB1
SCHEMBL7015375 0.82 TSHR (0.49) LMNACYP2D6RECQLFFAR1NPC1
SCHEMBL15958920 0.81 ADRB2 (0.59) ADRB2ADRB1MAPK1
SCHEMBL28294103 0.81 FFAR1 (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2500159 0.81 FFAR1 (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL24741070 0.80 ALDH1A1 (0.55) LMNAMTNR1AMTNR1BALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017155845-A1 COATING FORMULATION WITH AN OPEN TIME ADDITIVE DOW GLOBAL TECHNOLOGIES LLC (US) 2017-09-14 WO disclosed
EP-3181589-A1 PHENYL GLYCIDYL ETHER ADDUCT OF MALTODEXTRIN ROHM AND HAAS COMPANY (US) 2017-06-21 EP disclosed
US-20140193632-A1 PHOTOSENSITIVE ALKALI-SOLUBLE SILICONE RESIN COMPOSITION ASAHI KASEI E-MATERIALS CORPORATION (JP) 2014-07-10 US disclosed
US-8637675-B2 Inhibitors of proliferation and activation of signal transducer and activators of transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-01-28 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-20120149738-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATORS OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-14 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
WO-2010138758-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1707206-A1 Piperazine derivates for the inhibition of beta-secretase, cathepsin D, plasmepsin ll and HIV protease and for the treatment of malaria, Alzeheimer and AIDS Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 WO disclosed
US-6498278-B1 Alkoxylation of 6-membered alkylene carbonates HUNTSMAN PETROCHEMICAL CORPORATION 2002-12-24 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 (2 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-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885MAOA 85/4885PTGS1 236/4885
US-20120149738-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATORS OF TRANSCRIPTION (STATS) STAT3, STAT5A, STAT5B LMNA 4613/4885MAOA 3882/4885PTGS1 529/4885

“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.