SCHEMBL6885972

SCHEMBL6885972

COc1ccccc1C1OC(=O)C[C@@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
FABP5 Q01469 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
FABP3 P05413 2/20 0.44
FABP7 O15540 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
CYP19A1 P11511 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL6890628 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL6890626 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL6890624 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL15116650 0.89 TSHR (0.52) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL613562 0.88 TSHR (0.49) TSHRUSP2ALDH1A1KMT2AMEN1
SCHEMBL20054279 0.87 TSHR (0.51) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL12330316 0.87 TSHR (0.54) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL15125206 0.87 TSHR (0.51) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL9715115 0.85 MAPK1 (0.50) TSHRUSP2MAPTMAPK1
SCHEMBL15113828 0.85 TSHR (0.49) TSHRUSP2ALDH1A1KMT2AMEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2015-06-11 US disclosed
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2015-06-11 US disclosed
US-8952053-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2015-02-10 US disclosed
US-8952053-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2015-02-10 US disclosed
US-20130253045-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2013-09-26 US disclosed
US-20130253045-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2013-09-26 US disclosed
US-20130197030-A1 Substituted 1,3-Dioxanes and There Uses EVOLVA SA (CH) 2013-08-01 US disclosed
US-20130197030-A1 Substituted 1,3-Dioxanes and There Uses EVOLVA SA (CH) 2013-08-01 US disclosed
US-8486994-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2013-07-16 US disclosed
US-8486994-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2013-07-16 US disclosed
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-10-28 US disclosed
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-10-28 US disclosed
US-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-04-08 US disclosed
US-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-04-08 US disclosed
WO-2008089463-A2 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2008-07-24 WO disclosed
WO-2008089462-A2 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2008-07-24 WO disclosed
WO-2008089464-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2008-07-24 WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 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 (5 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-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA TSHR 267/4885FABP5 1182/4885USP2 3668/4885
US-20130197030-A1 Substituted 1,3-Dioxanes and There Uses TBXA2R, PPARG, PPARA TSHR 310/4885FABP5 667/4885USP2 4302/4885
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA TSHR 321/4885FABP5 717/4885USP2 4338/4885
US-20130253045-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA TSHR 267/4885FABP5 1182/4885USP2 3668/4885
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA TSHR 267/4885FABP5 1182/4885USP2 3668/4885

“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.