SCHEMBL4825307

SCHEMBL4825307

COc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PKM P14618 2/20 0.64
TP53 P04637 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
CTNNB1 P35222 1/20 0.59
WNT3A P56704 1/20 0.59
LMNA P02545 1/20 0.57
PLK1 P53350 1/20 0.57
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL4823544 0.91 RAB9A (0.68) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4819956 0.89 RAB9A (0.63) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL4825220 0.87 CTNNB1 (0.78) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL4824992 0.85 NPSR1 (0.74) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL4826287 0.84 RAB9A (0.62) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL652035 0.84 CTNNB1 (0.78) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL4820685 0.83 NPC1 (0.67) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL8301109 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL26499247 0.80 NPSR1 (0.90) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL6132031 0.80 NPSR1 (0.90) RAB9ANPC1SMN1; SMN2PKMNFKB1

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 RAB9A 4576/4885NPC1 789/4885SMN1; SMN2 2969/4885

“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.