SCHEMBL19834591

SCHEMBL19834591

O=Cc1ccc(Oc2cccc(OCC3CC3)c2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 11/20 0.49
ACACB O00763 2/20 0.48
PARP10 Q53GL7 2/20 0.47
PARP15 Q460N3 1/20 0.47
FFAR1 O14842 2/20 0.43
PPARD Q03181 2/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL23040084 0.91 PARP10 (0.55) PARP10PARP15FFAR1PPARDTLR4
SCHEMBL19834472 0.82 TLR4 (0.42) ACACAACACBFFAR1TLR4TLR2
SCHEMBL19834363 0.81 ACACA (0.55) ACACAACACBPARP10PARP15TLR4
SCHEMBL1564068 0.78 MAOB (0.56) FFAR1FFAR4
SCHEMBL19834611 0.78 ACACA (0.58) ACACAACACBPARP10PARP15FFAR1
SCHEMBL19406007 0.77 ACACA (0.49) ACACAACACBPARP10PARP15TLR4
SCHEMBL19834574 0.76 ACACA (0.56) ACACAACACBPARP10PARP15FFAR1
SCHEMBL19849103 0.76 ACACA (0.56) ACACAACACBTLR4TLR2
SCHEMBL23709919 0.76 LMNA (0.50)
SCHEMBL25487908 0.74 PARP10 (0.47) PARP10PARP15TLR4TLR2

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 28/4885PARP10 1775/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885PARP10 1775/4885

“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.