SCHEMBL3797579

SCHEMBL3797579

COC(=O)/C(=C\c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.59
NQO2 P16083 5/20 0.50
PARP10 Q53GL7 2/20 0.48
PARP3 Q9Y6F1 1/20 0.48
ALDH1A1 P00352 4/20 0.45
CYP2A6 P11509 1/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
AKR1C3 P42330 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3793596 1.00 PPARG (0.59) PPARGNQO2PARP10PARP3ALDH1A1
SCHEMBL3793593 1.00 PPARG (0.59) PPARGNQO2PARP10PARP3ALDH1A1
SCHEMBL12631347 0.89 PPARG (0.52) PPARGNQO2ALDH1A1MAPTMEN1
SCHEMBL12631326 0.89 PPARG (0.52) PPARGNQO2ALDH1A1MAPTMEN1
SCHEMBL4890342 0.88 ALDH1A1 (0.54) PPARGNQO2PARP10PARP3ALDH1A1
SCHEMBL4890340 0.88 ALDH1A1 (0.54) PPARGNQO2PARP10PARP3ALDH1A1
SCHEMBL3794641 0.85 PPARG (0.65) PPARGNQO2ALDH1A1MAPTLMNA
SCHEMBL4928599 0.85 PPARG (0.65) PPARGNQO2ALDH1A1MAPTLMNA
SCHEMBL13372018 0.84 PPARG (0.64) PPARGNQO2ALDH1A1MAPTLMNA
SCHEMBL3793581 0.84 PPARG (0.64) PPARGNQO2ALDH1A1MAPTLMNA

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 12 patents. 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 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 PPARG 10/4885NQO2 1897/4885PARP10 4609/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885NQO2 1897/4885PARP10 4609/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885NQO2 1897/4885PARP10 4609/4885

“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.