SCHEMBL2167110

SCHEMBL2167110

CC(N)C#Cc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.53
ACACA Q13085 4/20 0.53
FFAR1 O14842 3/20 0.43
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 2/20 0.40
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1547268 0.88 ACACB (0.62) ACACBACACA
SCHEMBL1547571 0.87 ACACB (0.45) ACACBACACAFFAR1PPARGPPARD
SCHEMBL19984479 0.84 ACACB (0.55) ACACBACACAFFAR1PPARGPPARD
SCHEMBL2169083 0.83 ACACB (0.66) ACACBACACA
SCHEMBL1547440 0.82 ACACB (0.48) ACACBACACAFFAR1PPARGPPARD
SCHEMBL5943027 0.80 ACACB (0.52) ACACBACACALTA4H
SCHEMBL13047644 0.78 ACACB (0.56) ACACBACACAFFAR1PPARGPPARD
SCHEMBL1547269 0.78 ACACB (0.50) ACACBACACAFFAR1
SCHEMBL1547599 0.75 ACACB (0.53) ACACBACACAFFAR1MAOBGAA
SCHEMBL18026569 0.73 ACACB (0.77) ACACBACACA

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-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 ACACB 1290/4885ACACA 1283/4885FFAR1 674/4885

“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.