SCHEMBL19834528

SCHEMBL19834528

CC(=O)c1ccc(/C=C/c2ccc(Oc3cccc(OCC4CC4)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 14/20 0.58
ACACB O00763 5/20 0.58
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
FABP1 P07148 1/20 0.44
KDM1A O60341 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
SCHEMBL19405880 0.93 ACACA (0.65) ACACAACACBPARP15PARP10PARP2
SCHEMBL19834384 0.83 ACACA (0.55) ACACAACACBTLR4TLR2RAB9A
SCHEMBL19834471 0.82 ACACA (0.88) ACACAACACB
SCHEMBL19834467 0.81 ACACA (0.60) ACACAACACBPARP15PARP10PARP2
SCHEMBL19405726 0.80 PARP10 (0.71) ACACAACACBPARP15PARP10PARP2
SCHEMBL19834363 0.80 ACACA (0.55) ACACAACACBTLR4TLR2PARP15
SCHEMBL19834474 0.79 ACACA (0.58) ACACAACACBTLR4TLR2
SCHEMBL19405877 0.79 ACACA (0.57) ACACAACACBPARP15PARP10PARP2
SCHEMBL2087923 0.78 NR1H4 (0.62) ACACAACACBPARP15PARP10PARP2
SCHEMBL19405920 0.78 ACACA (0.57) ACACAACACBPARP15PARP10PARP2

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 28/4885TLR4 945/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885TLR4 945/4885

“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.