SCHEMBL4820685

SCHEMBL4820685

COc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
TSHR P16473 4/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 6/20 0.57
TP53 P04637 3/20 0.57
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CASP1 P29466 1/20 0.56
LMNA P02545 2/20 0.56
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
POLB P06746 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
SCHEMBL5072119 0.91 KMT2A (0.69) NPC1RAB9ATSHRCYP1A2CYP3A4
SCHEMBL4816431 0.89 MAPT (0.65) NPC1RAB9ATSHRCYP1A2CYP3A4
SCHEMBL14217138 0.84 NPC1 (0.59) NPC1RAB9ATSHRALDH1A1GAA
SCHEMBL4824992 0.83 NPSR1 (0.74) NPC1RAB9ATSHRSMN1; SMN2MAPT
SCHEMBL4825307 0.83 RAB9A (0.64) NPC1RAB9ATSHRALDH1A1GAA
SCHEMBL7824718 0.82 MAPT (0.65) NPC1RAB9ATSHRCYP1A2CYP3A4
SCHEMBL4819956 0.82 RAB9A (0.63) NPC1RAB9ATSHRALDH1A1KMT2A
SCHEMBL1493250 0.82 CYP1A2 (1.00) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8269325 0.81 RAB9A (0.56) NPC1RAB9ATSHRALDH1A1GAA
SCHEMBL4826274 0.81 KMT2A (0.58) NPC1RAB9ATSHRCYP1A2CYP3A4

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 NPC1 789/4885RAB9A 4576/4885TSHR 4476/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPC1 789/4885RAB9A 4576/4885TSHR 4476/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPC1 789/4885RAB9A 4576/4885TSHR 4476/4885

“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.