SCHEMBL10075131

SCHEMBL10075131

COc1ccccc1[C@H](O)[C@@H](CO)C/C=C\CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PPARG P37231 3/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 1/20 0.35
FFAR1 O14842 1/20 0.34
MME P08473 1/20 0.34
MMEL1 Q495T6 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL13086065 1.00 LMNA (0.42) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL10075125 1.00 LMNA (0.42) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL27295163 0.93 PPARG (0.46) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL16311779 0.86 LMNA (0.40) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL14143601 0.85 LMNA (0.40) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL9650127 0.76 LMNA (0.43) LMNAPPARGPOLBL3MBTL1HTT
SCHEMBL9036447 0.71 TBXAS1 (0.44) SMN1; SMN2
SCHEMBL9472718 0.71 TBXAS1 (0.44) SMN1; SMN2
SCHEMBL11075357 0.69 CYSLTR2 (0.44) LMNAPPARGPOLBL3MBTL1NPSR1
SCHEMBL3993752 0.69 NFE2L2 (0.58) LMNANPSR1CYP1A2GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US disclosed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US disclosed
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2012-06-07 US disclosed
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2012-06-07 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 (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-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA LMNA 1823/4885PPARG 2/4885POLB 2104/4885
US-20140288110-A1 PPAR MODULATORS PPARD, PPARG, PPARA LMNA 3708/4885PPARG 2/4885POLB 1761/4885

“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.