SCHEMBL2653890

SCHEMBL2653890

O=[C]C1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 7/20 0.38
MAOA P21397 6/20 0.38
AOC2 O75106 5/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL95677 0.81 CA2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8043188 0.81 MAOA (0.33) HPGDTSHRMAOBMAOAAOC2
SCHEMBL449913 0.80 CHRM2 (0.41) HPGDTSHRMAOBMAOAAOC2
SCHEMBL5130635 0.80 MAOB (0.38) HPGDTSHRMAOBMAOAAOC2
Iodide SCHEMBL29719539 0.78 MAOB (0.37) HPGDTSHRMAOBMAOAAOC2
SCHEMBL16341041 0.78 CA2 (0.39) HPGDTSHR
SCHEMBL2490658 0.77 SMN1; SMN2 (0.53) TSHRMAOBMAOAKDM4E
SCHEMBL58104 0.72 HPGD (0.45) HPGDTSHRMAOBMAOAAOC2
SCHEMBL9751994 0.72 MAOA (0.50) HPGDTSHRMAOBMAOAAOC2
SCHEMBL2323249 0.72 NISCH (0.44) HPGDKDM4ENISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP claimed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO claimed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-10174004-B2 Production method of pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-08 US disclosed
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 EP disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
WO-2001051091-A1 BIOCONJUGATES AND USES THEREOF FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2001-07-19 WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 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 (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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 HPGD 410/4885TSHR 2157/4885MAOB 2096/4885
US-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 HPGD 2484/4885TSHR 4721/4885MAOB 814/4885
US-10174004-B2 Production method of pyridazinone compounds PNPO, CYP2B6, CYP4B1 HPGD 388/4885TSHR 1355/4885MAOB 26/4885

“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.