SCHEMBL4816680

SCHEMBL4816680

COc1ccc(C(O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 2/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMAD3 P84022 3/20 0.51
GPR55 Q9Y2T6 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HTR1A P08908 1/20 0.50
CNR1 P21554 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 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
SCHEMBL4818537 0.91 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4817176 0.89 KMT2A (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4824905 0.87 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1599758 0.85 CYP3A4 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8081978 0.82 KMT2A (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3621060 0.81 CYP3A4 (0.53) KMT2ACYP3A4SMAD3TP53ALDH1A1
SCHEMBL28868357 0.81 CYP3A4 (0.75) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL477457 0.80 MAPK1 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4816742 0.80 RAB9A (0.49) KMT2AMEN1CYP3A4CYP2D6NPC1
SCHEMBL9860501 0.80 CYP3A4 (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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 1616/4885MEN1 1398/4885CYP1A2 139/4885

“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.