SCHEMBL4819956

SCHEMBL4819956

COc1cc(OC)cc(C(=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
NPC1 O15118 6/20 0.63
MAPT P10636 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
PKM P14618 3/20 0.63
TP53 P04637 2/20 0.63
ATM Q13315 2/20 0.63
CTNNB1 P35222 2/20 0.61
WNT3A P56704 2/20 0.61
OPRK1 P41145 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL4826287 0.94 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4821161 0.91 CTNNB1 (0.61) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4825307 0.89 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4825220 0.88 CTNNB1 (0.78) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4824992 0.83 NPSR1 (0.74) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4820685 0.82 NPC1 (0.67) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL14375503 0.81 PDE4A (0.57) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4823544 0.80 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2CTNNB1
SCHEMBL4166372 0.80 CTNNB1 (0.44) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL4823371 0.79 CTNNB1 (0.78) RAB9ANPC1MAPTSMN1; SMN2PKM

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 12 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-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 RAB9A 4576/4885NPC1 789/4885MAPT 2161/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES RAB9A 4576/4885NPC1 789/4885MAPT 2161/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES RAB9A 4576/4885NPC1 789/4885MAPT 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.