SCHEMBL1019801

SCHEMBL1019801

C=CCOc1cc(O)c(C(C)C)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
HSP90AA1 P07900 2/20 0.38
FLT3 P36888 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LIG1 P18858 1/20 0.37
PTPN1 P18031 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL1020983 0.89 TSHR (0.48) TSHRGAATP53MEN1MAPT
SCHEMBL1019275 0.89 TSHR (0.54) TSHRGAATP53MAPTFLT3
SCHEMBL1020114 0.86 HSP90AA1 (0.42) TSHRGAAMAPTTHRATHRB
SCHEMBL15721585 0.83 TSHR (0.48) TSHRGAATP53MEN1MAPT
SCHEMBL1019195 0.80 HSP90AA1 (0.40) TSHRMEN1MAPTKMT2ANPSR1
SCHEMBL8168167 0.80 TSHR (0.68) TSHRGAATP53FLT3HSD17B10
SCHEMBL12765876 0.80 LMNA (0.41) TSHRGAAMAPTKMT2ATHRA
SCHEMBL12765873 0.79 ALDH1A1 (0.37) TSHRGAATHRATHRBHSD17B10
Hydrochloric Acid SCHEMBL8164468 0.78 TSHR (0.66) TSHRGAATP53MEN1KMT2A
SCHEMBL1019622 0.78 HSP90AA1 (0.40) TSHRGAAHSP90AA1FLT3LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 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 (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-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 TSHR 3501/4885GAA 1031/4885TP53 2747/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 TSHR 143/4885GAA 4684/4885TP53 3404/4885

“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.