SCHEMBL3796470

SCHEMBL3796470

COc1ccc(-c2cccc(Oc3ccc(/C=C4\SC(=O)NC4=O)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.67
PIM1 P11309 2/20 0.67
PIM2 Q9P1W9 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
HPGD P15428 4/20 0.64
ADAMTS5 Q9UNA0 4/20 0.64
PIK3CG P48736 1/20 0.58
POLB P06746 2/20 0.55
CSNK2A2 P19784 1/20 0.55
CLK1 P49759 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
DYRK1A Q13627 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MMP3 P08254 1/20 0.53
MMP13 P45452 1/20 0.53
XDH P47989 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3796472 1.00 AKR1B1 (0.67) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL5509142 0.86 PIM1 (0.91) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL8272567 0.86 PIM1 (0.91) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL5509146 0.86 PIM1 (0.91) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL3802898 0.86 AKR1B1 (0.63) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL3802899 0.86 AKR1B1 (0.63) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL18103036 0.82 MEN1 (0.71) AKR1B1PIM1PIM2ADAMTS5PIK3CG
SCHEMBL1247708 0.82 PIM1 (1.00) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL1247705 0.82 PIM1 (1.00) AKR1B1PIM1PIM2NPC1RAB9A
SCHEMBL2546911 0.82 PIM1 (1.00) AKR1B1PIM1PIM2NPC1RAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US claimed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP claimed
WO-2004033438-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS, INC. (US) 2004-04-22 WO claimed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 US claimed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-7407978-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-08-05 US disclosed
US-7407978-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-08-05 US disclosed
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US disclosed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP disclosed
WO-2004033438-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS, INC. (US) 2004-04-22 WO disclosed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 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 (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-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 AKR1B1 1453/4885PIM1 1299/4885PIM2 771/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 AKR1B1 1453/4885PIM1 1299/4885PIM2 771/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 AKR1B1 1453/4885PIM1 1299/4885PIM2 771/4885

“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.