SCHEMBL5580642

SCHEMBL5580642

O=C(O)Cc1cc(-c2cccc(OCC=Cc3ccc(C(F)(F)F)cc3)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.41
S1PR5 Q9H228 5/20 0.40
PPARG P37231 3/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PSEN1 P49768 1/20 0.40
PPARD Q03181 6/20 0.39
PPARA Q07869 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXRA P19793 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
FFAR1 O14842 1/20 0.38
CFD P00746 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 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
SCHEMBL5580639 1.00 PTGER2 (0.41) PTGER2S1PR5PPARGPTGESALOX5
SCHEMBL6152124 0.89 PPARD (0.41) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL6152122 0.89 PPARD (0.41) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL5580635 0.88 PTGES (0.44) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL5580638 0.88 PTGES (0.44) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL3509722 0.87 PPARG (0.41) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL3509718 0.87 PPARG (0.41) S1PR5PPARGPTGESALOX5PSEN1
SCHEMBL5580432 0.86 RXRA (0.46) PPARGPTGESALOX5PSEN1PPARD
SCHEMBL5580428 0.86 RXRA (0.46) PPARGPTGESALOX5PSEN1PPARD
SCHEMBL5580791 0.85 PSEN1 (0.47) S1PR5PPARGPTGESALOX5PSEN1

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 4 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 claimed
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 claimed
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 PTGER2 2277/4885S1PR5 551/4885PPARG 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.