SCHEMBL5580737

SCHEMBL5580737

COc1cc(OC)c(-c2cccc(OCC=Cc3ccc(C(F)(F)F)cc3)c2)cc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PSEN1 P49768 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
CTSA P10619 2/20 0.39
DGAT2 Q96PD7 2/20 0.39
S1PR5 Q9H228 3/20 0.38
AKR1C3 P42330 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C2 P52895 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL5580733 1.00 PPARD (0.41) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5580638 0.89 PTGES (0.44) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5580635 0.89 PTGES (0.44) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5580549 0.88 PSEN1 (0.48) PTGESALOX5PPARGPSEN1PTGDR2
SCHEMBL5580545 0.88 PSEN1 (0.48) PTGESALOX5PPARGPSEN1PTGDR2
SCHEMBL5580463 0.86 PPARD (0.42) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5580460 0.86 PPARD (0.42) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5584040 0.85 NR1H2 (0.41) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5584038 0.85 NR1H2 (0.41) PPARDPTGESALOX5PPARGPSEN1
SCHEMBL5580476 0.85 PTGES (0.41) PPARDPTGESALOX5PPARGPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1604971-A1 CINNAMYL ALCOHOL DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP 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 (1 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-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient LPL, GPR119, EBP PPARD 24/4885PTGES 783/4885ALOX5 1218/4885

“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.