SCHEMBL5525560

SCHEMBL5525560

CCOC(=O)C=C(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LTB4R Q15722 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6484891 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL5525558 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL2205707 0.90 MAPT (0.51) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL5078615 0.90 MAPT (0.51) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL2205704 0.90 MAPT (0.51) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL6489181 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL14615017 0.86 MAPT (0.44) SMN1; SMN2MAPTHPGDALDH1A1RAB9A
SCHEMBL6475019 0.86 MAPT (0.44) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL5520040 0.86 MAPT (0.44) SMN1; SMN2MAPTHPGDALDH1A1RAB9A
SCHEMBL6822506 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043035-A1 Novel compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-02-22 US disclosed
EP-1678128-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-12 EP disclosed
WO-2005040104-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 WO disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-6737438-B2 EFFECTIVE IN MULTIDRUG RESISTANT MICE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-05-18 US disclosed
US-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-03-18 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
WO-2003082852-A1 NOVEL SUBSTITUTED 1,2,4-TRIOXANES USEFUL AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 WO disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed
US-4344966-A Anti-inflammatory 1-alkyl-1-phenyl-butanes SANDOZ, INC. (US) 1982-08-17 US disclosed
US-4335124-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1982-06-15 US disclosed
US-4273787-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1981-06-16 US disclosed
US-4081476-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1978-03-28 US disclosed
US-3980795-A Pyrazolidinones and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-14 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 (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-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof DHPS, TBXAS1, ABCC1 SMN1; SMN2 4624/4885MAPT 3696/4885L3MBTL1 3204/4885
US-20070043035-A1 Novel compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, LIPC SMN1; SMN2 4582/4885MAPT 4179/4885L3MBTL1 4808/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD SMN1; SMN2 3127/4885MAPT 3845/4885L3MBTL1 4771/4885

“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.