SCHEMBL3794547

SCHEMBL3794547

COc1cc(C=C(C(=O)N(C)C)c2ccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)cc2)cc(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.80
MPC2 O95563 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
PPARA Q07869 3/20 0.48
FFAR1 O14842 3/20 0.47
CA2 P00918 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
MAPT P10636 2/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4422668 1.00 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL13372166 0.96 PPARG (0.73) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL12631349 0.93 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3805074 0.93 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL4427014 0.93 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL4434728 0.90 PPARG (0.84) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL4434725 0.90 PPARG (0.84) PPARGMPC2CYP2C8CYP2C9PPARA
Clx-0921 SCHEMBL3794534 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3798938 0.89 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3798936 0.89 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9PPARA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US claimed
EP-1360178-B1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS INC (US) 2009-02-18 EP claimed
US-7202366-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2007-04-10 US claimed
US-7105552-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-09-12 US claimed
US-20040186299-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. 2004-09-23 US claimed
EP-1360178-A2 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Calyx Therapeutics, Inc. (US) 2003-11-12 EP claimed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 US claimed
US-20020032225-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2002-03-14 US claimed
WO-2001095859-A2 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS CALYX THERAPEUTICS, INC. (US) 2001-12-20 WO claimed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP 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-7202366-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2007-04-10 US disclosed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP disclosed
WO-2005054218-A1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX S.A. (FR) 2005-06-16 WO disclosed
US-20040186299-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. 2004-09-23 US 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
US-20020032225-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2002-03-14 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 (4 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-20040186299-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, GPR119, FFAR4 PPARG 25/4885MPC2 154/4885CYP2C8 2246/4885
US-20020032225-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, GPR119, FFAR4 PPARG 25/4885MPC2 154/4885CYP2C8 2246/4885
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885MPC2 753/4885CYP2C8 1831/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885MPC2 753/4885CYP2C8 1831/4885

“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.