SCHEMBL4824905

SCHEMBL4824905

COc1cccc(C(O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
MEN1 O00255 3/20 0.50
TP53 P04637 3/20 0.47
GPR55 Q9Y2T6 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR1A P08908 1/20 0.47
CNR1 P21554 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL4825734 0.91 CTNNB1 (0.52) KMT2ANPC1RAB9ACTNNB1WNT3A
SCHEMBL4817176 0.88 KMT2A (0.54) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL4816680 0.87 KMT2A (0.63) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL9861107 0.81 CYP3A4 (0.45) KMT2ANPC1RAB9ACTNNB1WNT3A
SCHEMBL1599758 0.81 CYP3A4 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL2093768 0.81 AOC3 (0.59) NPC1RAB9AALDH1A1MAPK1CYP3A4
SCHEMBL477457 0.80 MAPK1 (0.57) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4816742 0.79 RAB9A (0.49) KMT2ANPC1RAB9ACTNNB1WNT3A
SCHEMBL8081978 0.79 KMT2A (0.51) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL4818537 0.78 KMT2A (0.52) KMT2ANPC1RAB9AMEN1TP53

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 4 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
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES KMT2A 1616/4885NPC1 789/4885RAB9A 4576/4885

“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.