SCHEMBL5580781

SCHEMBL5580781

O=C(O)Cc1cncc(-c2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PPARG P37231 3/20 0.43
PSEN1 P49768 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
FFAR1 O14842 5/20 0.42
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
RXRA P19793 2/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 3/20 0.39
GPR132 Q9UNW8 1/20 0.39
S1PR5 Q9H228 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL5580788 1.00 CYP11B1 (0.45) CYP11B1CYP11B2PPARGPSEN1PTGES
SCHEMBL5580428 0.91 RXRA (0.46) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580432 0.91 RXRA (0.46) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580894 0.86 RXRA (0.44) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580614 0.86 PPARD (0.46) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580617 0.86 PPARD (0.46) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580891 0.86 RXRA (0.44) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580534 0.82 AGXT (0.44) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580543 0.82 AGXT (0.44) PPARGPSEN1PTGESALOX5FFAR1
SCHEMBL5580784 0.82 PSEN1 (0.47) PPARGPSEN1PTGESALOX5NR1H2

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 CYP11B1 178/4885CYP11B2 357/4885PPARG 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.