SCHEMBL19834469

SCHEMBL19834469

COC(=O)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2F)nc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 18/20 0.59
ACACB O00763 8/20 0.45
GABRA5 P31644 1/20 0.42

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
SCHEMBL19834487 0.90 ACACA (0.69) ACACAACACBGABRA5
SCHEMBL19834485 0.82 ACACA (0.83) ACACAACACB
SCHEMBL19834418 0.82 ACACA (0.60) ACACAACACB
SCHEMBL28405014 0.81 ACACA (0.46) ACACAGABRA5
SCHEMBL19834348 0.81 ACACA (0.71) ACACAACACBGABRA5
SCHEMBL19834495 0.80 ACACA (0.67) ACACAACACBGABRA5
SCHEMBL19834531 0.79 ACACA (0.83) ACACAACACB
SCHEMBL20773024 0.79 WDR5 (0.46) ACACAGABRA5
SCHEMBL20772827 0.78 FFAR4 (0.43) ACACAGABRA5
SCHEMBL19834486 0.78 ACACA (0.63) ACACAACACBGABRA5

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 58/4885ACACB 28/4885GABRA5 3903/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885GABRA5 3903/4885

“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.