SCHEMBL19834562

SCHEMBL19834562

CCOC(=O)CC(=O)c1ccc(Oc2cccc(OCC3CC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 14/20 0.56
ACACB O00763 6/20 0.56
FABP1 P07148 1/20 0.45
NR1H4 Q96RI1 2/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
DGAT1 O75907 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
SCHEMBL19405877 0.86 ACACA (0.57) ACACAACACBFABP1NR1H4PARP15
SCHEMBL19405920 0.81 ACACA (0.57) ACACAACACBFABP1NR1H4PARP15
SCHEMBL19405880 0.81 ACACA (0.65) ACACAACACBFABP1NR1H4PARP15
SCHEMBL19834467 0.80 ACACA (0.60) ACACAACACBFABP1NR1H4PARP15
SCHEMBL5753439 0.79 ERCC5 (0.62) PARP10
SCHEMBL19405726 0.78 PARP10 (0.71) ACACAACACBFABP1PARP15PARP10
SCHEMBL19834528 0.77 ACACA (0.58) ACACAACACBFABP1PARP15PARP10
SCHEMBL15474259 0.76 ACACA (0.58) ACACAACACB
SCHEMBL23149606 0.76 ERCC5 (0.57)
SCHEMBL19834407 0.76 ACACA (0.56) ACACAACACBFABP1NR1H4DGAT1

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 28/4885FABP1 1/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885FABP1 1/4885

“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.