SCHEMBL5110148

SCHEMBL5110148

CCOC(=O)c1ccccc1-c1ccc(OBOc2ccc(-c3ccccc3C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
ERN1 O75460 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPK1 P28482 1/20 0.46
MPI P34949 1/20 0.46

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
SCHEMBL5154594 0.85 ALDH1A1 (0.61) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1638832 0.84 TSHR (0.57) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL27686802 0.83 TSHR (0.65) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL3230316 0.83 TSHR (0.65) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL29500171 0.83 TSHR (0.65) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL396552 0.83 TSHR (0.69) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL8606461 0.82 TSHR (0.62) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL1665510 0.82 TSHR (0.61) TSHRSCN1ASCN2ASCN3AALDH1A1
Bicarbonate SCHEMBL27449726 0.82 TSHR (0.67) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL4744480 0.81 TSHR (0.57) TSHRSCN1ASCN2ASCN3AALDH1A1

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-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 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-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 TSHR 213/4885SCN1A 3431/4885SCN2A 3522/4885

“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.