SCHEMBL4819701

SCHEMBL4819701

COc1cc(OC)cc(C(=O)c2cc(OC)ccc2OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.81
HTT P42858 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
ALDH1A1 P00352 5/20 0.71
POLB P06746 1/20 0.69
CYP2C9 P11712 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
NPC1 O15118 1/20 0.58
HPGD P15428 2/20 0.58
TUBB1 Q9H4B7 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL6375687 0.88 MAPT (0.96) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL12228747 0.87 MAPT (0.82) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL4222291 0.85 MAPT (0.84) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL4820599 0.83 STS (0.56) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL4843372 0.81 ALDH1A1 (0.56) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL4818613 0.80 MAPT (0.53) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL9423987 0.79 MAPT (0.70) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL885028 0.78 MAPT (0.68) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL29581343 0.78 MAPT (0.68) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL503802 0.78 POLB (0.70) MAPTHTTNPSR1ALDH1A1POLB

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 13 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
CN-101056846-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
CN-1780811-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2006-05-31 CN 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 MAPT 2161/4885HTT 1033/4885NPSR1 3486/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885HTT 1033/4885NPSR1 3486/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES MAPT 2161/4885HTT 1033/4885NPSR1 3486/4885

“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.