SCHEMBL4816613

SCHEMBL4816613

COc1cc(Br)ccc1OCC(C)(C)[SiH](C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL941193 0.94 GLA (0.42) SMN1; SMN2GLAKDM4ETDP1TSHR
SCHEMBL4621185 0.84 AAK1 (0.36) SMN1; SMN2GLATSHRALDH1A1MEN1
SCHEMBL2287091 0.83 AAK1 (0.47) SMN1; SMN2KDM4ETDP1TSHRALDH1A1
SCHEMBL15208869 0.83 CYP2C9 (0.41) SMN1; SMN2GLATDP1TSHRALDH1A1
SCHEMBL5334810 0.81 LMNA (0.40) SMN1; SMN2KDM4ETDP1ALDH1A1MEN1
SCHEMBL22208677 0.81 TSHR (0.46) SMN1; SMN2KDM4ETDP1TSHRALDH1A1
SCHEMBL14992970 0.81 HTR2A (0.36) KDM4ETDP1TSHRALDH1A1MEN1
SCHEMBL15208753 0.81 AAK1 (0.38) SMN1; SMN2GLAALDH1A1MEN1HTT
SCHEMBL1144143 0.81 MCHR1 (0.44) SMN1; SMN2GLAKDM4ETDP1TSHR
SCHEMBL6449279 0.80 CCR5 (0.52) SMN1; SMN2ALDH1A1HTTLMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 US disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 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 (3 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES SMN1; SMN2 2969/4885GLA 2508/4885KDM4E 384/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES SMN1; SMN2 2969/4885GLA 2508/4885KDM4E 384/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES SMN1; SMN2 2969/4885GLA 2508/4885KDM4E 384/4885

“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.