SCHEMBL3797293

SCHEMBL3797293

Cc1cc(C)cc(C=C(C(=O)O)c2ccc(Oc3ccc(C=C4SC(=O)NC4=O)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
AKR1B1 P15121 3/20 0.56
GPR35 Q9HC97 1/20 0.52
PIM1 P11309 6/20 0.51
PIM2 Q9P1W9 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.47
MMP3 P08254 1/20 0.46
MMP13 P45452 1/20 0.46
XDH P47989 1/20 0.46
PPARG P37231 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL13347279 1.00 HPGD (0.56) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL3797290 1.00 HPGD (0.56) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL13347269 0.91 HPGD (0.58) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL3798995 0.91 HPGD (0.58) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL3798994 0.91 HPGD (0.58) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL12631774 0.91 AKR1B1 (0.57) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL6036473 0.88 AKR1B1 (0.57) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL6036475 0.88 AKR1B1 (0.57) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL28525448 0.88 AKR1B1 (0.57) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL29018404 0.88 AKR1B1 (0.57) HPGDAKR1B1GPR35PIM1PIM2

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 9 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-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-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US 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 HPGD 264/4885AKR1B1 1453/4885GPR35 776/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 HPGD 264/4885AKR1B1 1453/4885GPR35 776/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 HPGD 264/4885AKR1B1 1453/4885GPR35 776/4885

“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.