SCHEMBL4820599

SCHEMBL4820599

COc1cc(OC)cc(C(=O)c2ccccc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TUBB1 Q9H4B7 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
CTSD P07339 1/20 0.49

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
SCHEMBL4816474 0.85 NPC1 (0.56) HTTMAPTNPSR1NPC1ALDH1A1
SCHEMBL29771971 0.84 STS (0.70) STSHTTMAPTNPSR1NPC1
SCHEMBL1682193 0.84 STS (0.70) STSHTTMAPTNPSR1NPC1
SCHEMBL4819701 0.83 MAPT (0.81) HTTMAPTNPSR1NPC1ALDH1A1
SCHEMBL29573531 0.82 MAPT (0.64) STSHTTMAPTNPSR1NPC1
SCHEMBL50229 0.82 MAPT (0.64) STSHTTMAPTNPSR1NPC1
SCHEMBL29658169 0.81 CTSD (0.62) STSHTTNPC1HSD17B10RAB9A
SCHEMBL322168 0.81 CTSD (0.62) STSHTTNPC1HSD17B10RAB9A
Benzophenone SCHEMBL11416830 0.80 MAPT (0.67) STSHTTMAPTNPSR1NPC1
Bicarbonate SCHEMBL27740092 0.80 MAPT (0.62) STSHTTMAPTNPSR1NPC1

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 11 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
CN-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN 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 STS 1443/4885HTT 1033/4885MAPT 2161/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES STS 1443/4885HTT 1033/4885MAPT 2161/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES STS 1443/4885HTT 1033/4885MAPT 2161/4885

“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.