SCHEMBL19834598

SCHEMBL19834598

O=C(O)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 13/20 0.67
PPARD Q03181 5/20 0.46
FFAR1 O14842 4/20 0.46
P4HTM Q9NXG6 1/20 0.45
ACACB O00763 3/20 0.44
PPARA Q07869 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL19834346 0.91 ACACA (0.71) ACACAPPARDFFAR1ACACB
SCHEMBL19834388 0.90 ACACA (0.69) ACACAPPARDFFAR1ACACB
SCHEMBL19834450 0.86 ACACA (0.62) ACACAPPARDFFAR1ACACB
SCHEMBL19405761 0.86 ACACA (0.53) ACACAP4HTMACACB
SCHEMBL19834495 0.82 ACACA (0.67) ACACAPPARDFFAR1ACACB
SCHEMBL19834465 0.81 ACACA (0.71) ACACAPPARDFFAR1ACACB
SCHEMBL19834356 0.80 ACACA (1.00) ACACAACACB
SCHEMBL19834484 0.79 ACACA (0.71) ACACAPPARDFFAR1ACACB
SCHEMBL457981 0.78 P4HTM (0.56) P4HTM
SCHEMBL19834348 0.77 ACACA (0.71) ACACAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 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 (2 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-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 ACACA 58/4885PPARD 203/4885FFAR1 110/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885PPARD 203/4885FFAR1 110/4885

“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.