SCHEMBL5782201

SCHEMBL5782201

COc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.41
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
TACR1 P25103 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.37
CALM1 P0DP23 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL1314001 0.82 AGXT (0.42) TSHRMAPK1MAOBL3MBTL1IDO1
SCHEMBL31124717 0.80 TRPA1 (0.35) TSHRTACR1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5561672 0.80 IDO1 (0.41) MAOBTACR1IDO1AGXTCYP3A4
SCHEMBL31124766 0.80 TSHR (0.35) TSHRSLC16A3TACR1CYP3A4SMN1; SMN2
SCHEMBL22774158 0.80 SMYD2 (0.32) TACR1CYP3A4SMN1; SMN2
SCHEMBL5236553 0.79 CA4 (0.40) ABCB1TSHRMAPK1MAOBSLC16A3
SCHEMBL501339 0.79 TACR1 (0.32) TACR1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL31160243 0.79 MEN1 (0.43) MEN1TP53KMT2ASMN1; SMN2HSD17B10
SCHEMBL5781161 0.78 ENPP2 (0.34) ABCB1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL9208848 0.78 RELA (0.46) MAOBIDO1AGXTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ABCB1 881/4885TSHR 2994/4885MAPK1 1075/4885

“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.