SCHEMBL5580476

SCHEMBL5580476

COc1cc(-c2cccc(OCC=Cc3ccc(C(F)(F)F)cc3)c2)cc(CC(=O)O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PSEN1 P49768 1/20 0.41
NFE2L2 Q16236 1/20 0.40
PPARD Q03181 3/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
S1PR5 Q9H228 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL5580472 1.00 PTGES (0.41) PTGESALOX5PPARGPSEN1NFE2L2
SCHEMBL5580635 0.90 PTGES (0.44) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL5580638 0.90 PTGES (0.44) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL5580463 0.86 PPARD (0.42) PTGESALOX5PPARGPSEN1NFE2L2
SCHEMBL5580460 0.86 PPARD (0.42) PTGESALOX5PPARGPSEN1NFE2L2
SCHEMBL5580737 0.85 PPARD (0.41) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL5580733 0.85 PPARD (0.41) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL5580642 0.83 PTGER2 (0.41) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL5580639 0.83 PTGER2 (0.41) PTGESALOX5PPARGPSEN1PPARD
SCHEMBL6152124 0.83 PPARD (0.41) PTGESALOX5PPARGPSEN1PPARD

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 1 patent. 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

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 PTGES 783/4885ALOX5 1218/4885PPARG 14/4885

“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.