SCHEMBL4816474

SCHEMBL4816474

COc1cc(OC)cc(C(=O)c2cccc(OC)c2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TUBB1 Q9H4B7 6/20 0.50
TUBB4A P04350 5/20 0.50
TUBB P07437 5/20 0.50
TUBA3C P0DPH7 5/20 0.50
TUBA1B P68363 5/20 0.50
TUBA4A P68366 5/20 0.50
TUBB4B P68371 5/20 0.50
TUBB3 Q13509 5/20 0.50
TUBB2A Q13885 5/20 0.50
TUBB8 Q3ZCM7 5/20 0.50
TUBA3E Q6PEY2 5/20 0.50
TUBA1A Q71U36 5/20 0.50
TUBA1C Q9BQE3 5/20 0.50
TUBB6 Q9BUF5 5/20 0.50
TUBB2B Q9BVA1 5/20 0.50
MAPT P10636 1/20 0.47

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
SCHEMBL5193772 0.89 NPC1 (0.62) NPC1TP53RAB9ASMN1; SMN2TUBB1
SCHEMBL4818613 0.86 MAPT (0.53) NPC1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL4820599 0.85 STS (0.56) NPC1RAB9ASMN1; SMN2TUBB1MAPT
SCHEMBL3762150 0.83 RAB9A (0.55) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL322169 0.82 MAPT (0.57) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL29986971 0.82 MAPT (0.57) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL11764286 0.81 CYP1A2 (0.64) NPC1TP53RAB9ASMN1; SMN2TUBB1
SCHEMBL28095416 0.81 MAPT (0.55) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL5189858 0.80 MAPT (0.62) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL4824810 0.80 MAPT (0.59) NPC1TUBB1TUBB4ATUBBTUBA3C

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 13 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-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN 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 789/4885TP53 191/4885RAB9A 4576/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPC1 789/4885TP53 191/4885RAB9A 4576/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPC1 789/4885TP53 191/4885RAB9A 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.