SCHEMBL2316112

SCHEMBL2316112

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MTNR1B P49286 12/20 0.45
MTNR1A P48039 11/20 0.45
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7324340 0.90 ALDH1A1 (0.61) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7694497 0.85 ALDH1A1 (0.57) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL6959131 0.85 TDP1 (0.48) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL913926 0.84 PPARG (0.47) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL5207507 0.79 L3MBTL1 (0.59) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL10898655 0.79 KMT2A (0.48) ALDH1A1L3MBTL1LMNACES2CES1
SCHEMBL8429828 0.79 LMNA (0.38) ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL10469926 0.79 ALDH1A1 (0.53) TSHRALDH1A1MAPK1TDP1L3MBTL1
1,3-Dimethoxybenzene SCHEMBL27728370 0.79 ALDH1A1 (0.62) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL6839231 0.78 KMT2A (0.50) ALDH1A1TDP1MTNR1BMTNR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 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 (1 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-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 TSHR 750/4885ALDH1A1 123/4885MAPK1 2211/4885

“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.