SCHEMBL2317457

SCHEMBL2317457

COc1ccc2c(c1)OCC2CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
USP2 O75604 2/20 0.51
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARD Q03181 8/20 0.47
PPARG P37231 7/20 0.47
FFAR1 O14842 6/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ABCB1 P08183 2/20 0.44
HTR1A P08908 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
SCHEMBL2317460 1.00 CYP3A4 (0.51) CYP3A4USP2MAPTMEN1KMT2A
SCHEMBL9627802 0.84 CYP3A4 (0.48) CYP3A4USP2MAPTMEN1KMT2A
SCHEMBL30839494 0.84 CYP3A4 (0.48) CYP3A4USP2MAPTMEN1KMT2A
SCHEMBL15356101 0.83 CYP3A4 (0.47) CYP3A4USP2MAPTMEN1KMT2A
SCHEMBL206775 0.82 PPARD (0.69) PPARDPPARGFFAR1PPARA
SCHEMBL2691621 0.81 PPARD (0.54) PPARDPPARGFFAR1PPARA
SCHEMBL25318575 0.79 CYP3A4 (0.54) CYP3A4USP2MAPTMEN1KMT2A
SCHEMBL12362004 0.79 FFAR1 (0.47) ALOX15ALOX12PPARDPPARGFFAR1
SCHEMBL5175120 0.77 HTR1A (0.54) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL5228138 0.76 PPARD (0.39) PPARD

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 11 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
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
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 CYP3A4 13/4885USP2 3339/4885MAPT 2924/4885

“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.