SCHEMBL3798362

SCHEMBL3798362

COc1cc(OC)cc(-c2cccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.60
MPC2 O95563 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2C9 P11712 1/20 0.60
FFAR1 O14842 8/20 0.58
CA2 P00918 1/20 0.51
PPARA Q07869 4/20 0.51
MAPT P10636 2/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL3797980 0.94 FFAR1 (0.61) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL5905550 0.89 FFAR1 (0.59) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8313625 0.89 FFAR1 (0.61) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL13347288 0.88 PPARG (0.59) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL5057226 0.82 PPARG (0.62) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL12631758 0.82 PPARG (0.59) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL13347287 0.81 PPARG (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL5052418 0.81 PPARG (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL5052419 0.81 PPARG (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL3840336 0.81 FFAR1 (0.65) PPARGMPC2CYP2C8CYP2C9FFAR1

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 10 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
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 PPARG 10/4885MPC2 753/4885CYP2C8 1831/4885
US-20060235062-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.