SCHEMBL2301980

SCHEMBL2301980

CCOC(=O)C(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
KMT2A Q03164 2/20 0.53
PIN1 Q13526 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM5 P08912 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL9052274 0.91 KMT2A (0.49) MMP8KMT2APIN1MEN1NPC1
SCHEMBL5728738 0.90 KMT2A (0.64) MMP8KMT2APIN1MEN1NPC1
SCHEMBL28497599 0.85 MMP8 (0.54) MMP8KMT2APIN1MEN1NPC1
SCHEMBL1661290 0.85 MMP8 (0.54) MMP8KMT2APIN1MEN1NPC1
SCHEMBL21555695 0.84 MMP8 (0.53) MMP8KMT2APIN1MEN1NPC1
SCHEMBL25600199 0.84 MMP8 (0.53) MMP8KMT2APIN1MEN1NPC1
SCHEMBL28258997 0.84 MMP8 (0.53) MMP8KMT2APIN1MEN1NPC1
SCHEMBL4201177 0.82 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL1645937 0.82 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL27629137 0.82 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582674-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2013-04-24 EP disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 WO disclosed
EP-2367793-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2011-09-28 EP disclosed
EP-2350016-A2 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2011-08-03 EP disclosed
WO-2010080537-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-07-15 WO disclosed
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP disclosed
WO-2010048207-A2 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-04-29 WO disclosed
EP-1603874-B1 G-LACTAM DERIVATIVES AS PROSTAGLANDIN AGONISTS SERONO LAB (CH) 2008-05-07 EP disclosed
US-7276531-B2 G-lactam derivatives as prostaglandin agonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-10-02 US disclosed
EP-1406609-B1 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 EP disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
US-20040116431-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-06-17 US disclosed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP disclosed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US disclosed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US disclosed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 US disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 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-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES MMP8 526/4885KMT2A 2711/4885PIN1 1149/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN MMP8 349/4885KMT2A 1114/4885PIN1 2381/4885

“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.