SCHEMBL5209949

SCHEMBL5209949

CCOC(=O)C(C)Oc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 4/20 0.51
KMT2A Q03164 3/20 0.49
RECQL P46063 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
ACHE P22303 1/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 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
Metacresol SCHEMBL6989813 0.93 L3MBTL1 (0.52) L3MBTL1LMNATDP1KMT2ARECQL
SCHEMBL1454525 0.85 L3MBTL1 (0.57) L3MBTL1LMNATDP1KMT2AALDH1A1
SCHEMBL5207507 0.85 L3MBTL1 (0.59) L3MBTL1LMNATDP1KMT2AALDH1A1
SCHEMBL13557321 0.85 L3MBTL1 (0.54) L3MBTL1LMNATDP1KMT2AALDH1A1
SCHEMBL14122295 0.85 TP53 (0.52) LMNAKMT2ARECQLTP53ALDH1A1
SCHEMBL14121601 0.85 TP53 (0.52) LMNAKMT2ARECQLTP53ALDH1A1
SCHEMBL14121604 0.85 TP53 (0.52) LMNAKMT2ARECQLTP53ALDH1A1
SCHEMBL17901029 0.84 LMNA (0.72) L3MBTL1LMNATDP1KMT2ATP53
SCHEMBL2805987 0.84 LMNA (0.72) L3MBTL1LMNATDP1KMT2ATP53
SCHEMBL5211054 0.84 HPGD (0.55) L3MBTL1LMNATDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
EP-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 US disclosed
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO 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 (4 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO L3MBTL1 2524/4885LMNA 3752/4885TDP1 1364/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT L3MBTL1 2943/4885LMNA 3800/4885TDP1 2536/4885
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARD, PPARG L3MBTL1 4663/4885LMNA 3917/4885TDP1 3890/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT L3MBTL1 2943/4885LMNA 3800/4885TDP1 2536/4885

“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.