SCHEMBL5058932

SCHEMBL5058932

COC(=O)/C(=C\c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
PIM1 P11309 4/20 0.56
AKR1B1 P15121 4/20 0.56
PIM2 Q9P1W9 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 2/20 0.51
HDAC4 P56524 1/20 0.49
ADAMTS5 Q9UNA0 2/20 0.48
GSK3B P49841 3/20 0.48
ESRRA P11474 2/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GPR35 Q9HC97 1/20 0.47
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
PHKG2 P15735 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
SCHEMBL3793560 1.00 PPARG (0.62) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL13347261 1.00 PPARG (0.62) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL3802111 1.00 PPARG (0.62) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL3793562 1.00 PPARG (0.62) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL13347260 1.00 PPARG (0.62) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL12631330 0.91 AKR1B1 (0.56) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL28525448 0.91 AKR1B1 (0.57) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL29018404 0.91 AKR1B1 (0.57) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL6036475 0.91 AKR1B1 (0.57) PPARGPIM1AKR1B1PIM2NPC1
SCHEMBL6036473 0.91 AKR1B1 (0.57) PPARGPIM1AKR1B1PIM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 10/4885PIM1 1299/4885AKR1B1 1453/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885PIM1 1299/4885AKR1B1 1453/4885

“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.