SCHEMBL19834495

SCHEMBL19834495

O=C(O)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 9/20 0.67
NR1H4 Q96RI1 3/20 0.43
DGAT1 O75907 3/20 0.43
FABP1 P07148 1/20 0.42
CYP3A4 P08684 1/20 0.42
SOAT1 P35610 1/20 0.42
FFAR1 O14842 1/20 0.42
PPARD Q03181 1/20 0.42
ACACB O00763 1/20 0.41
GABRA5 P31644 2/20 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
SCHEMBL19834348 0.91 ACACA (0.71) ACACAACACBGABRA5
SCHEMBL19834487 0.90 ACACA (0.69) ACACAACACBGABRA5
SCHEMBL19834486 0.87 ACACA (0.63) ACACAACACBGABRA5
SCHEMBL19834465 0.82 ACACA (0.71) ACACAFFAR1PPARDACACB
SCHEMBL19834598 0.82 ACACA (0.67) ACACAFFAR1PPARDACACB
SCHEMBL19834453 0.81 ACACA (1.00) ACACAACACB
SCHEMBL19834336 0.81 ACACA (1.00) ACACAACACB
SCHEMBL19834454 0.81 ACACA (0.69) ACACAACACB
SCHEMBL19834484 0.80 ACACA (0.71) ACACAFFAR1PPARDACACB
SCHEMBL19834602 0.80 ACACA (0.60) ACACAFFAR1PPARDACACB

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 58/4885NR1H4 11/4885DGAT1 176/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885NR1H4 11/4885DGAT1 176/4885

“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.