SCHEMBL96547

SCHEMBL96547

CC(C=O)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAOA P21397 1/20 0.52
PTGS1 P23219 1/20 0.52
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
CYP2D6 P10635 3/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
SCN4A P35499 2/20 0.46
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL28048776 0.81 AAK1 (0.44) LMNACYP2D6NPC1CYP3A4HSD17B10
SCHEMBL15281220 0.78 LMNA (0.55) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL8733148 0.77 LMNA (0.53) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL3267172 0.77 LMNA (0.63) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL11153501 0.77 LMNA (0.53) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL10256230 0.77 APP (0.41) CYP2D6ADRB2ADRB1ADRB3NPC1
SCHEMBL97377 0.76 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL9178337 0.76 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL13385106 0.76 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL4212363 0.76 LMNA (0.57) LMNAMTNR1AMTNR1BCYP2D6ADRB2

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
JP-2256639-A None JP disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
CN-1863756-A Preparation method of 4-hydroxydiphenyl ether SUMITOMO CHEMICAL CO (JP) 2006-11-15 CN disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
US-4988828-A Antiulcer agents, antagonist for histamine H2 receptors FUJIREBIO KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
JP-H02256639-A METHYLENEPHENOXYPROPYL DERIVATIVE FUJIREBIO INC 1990-10-17 JP disclosed
EP-0318036-A2 Phenoxypropyl derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1989-05-31 EP 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 LMNA 2721/4885MAOA 624/4885PTGS1 2343/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 LMNA 4742/4885MAOA 3569/4885PTGS1 1055/4885

“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.