SCHEMBL19834511

SCHEMBL19834511

COC(=O)c1ccc(OCC(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9110433 1.00 MAPT (0.51) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL5155608 0.88 MTNR1A (0.50) MAPTMTNR1AMTNR1BACACBACACA
SCHEMBL5155610 0.88 MTNR1A (0.50) MAPTMTNR1AMTNR1BACACBACACA
SCHEMBL4815874 0.86 GAA (0.46) MAPTGAAALDH1A1LMNAACACB
SCHEMBL4815867 0.86 GAA (0.46) MAPTGAAALDH1A1LMNAACACB
SCHEMBL24763745 0.85 MTNR1A (0.52) LMNAMTNR1AMTNR1BSMN1; SMN2
SCHEMBL5070271 0.85 AAK1 (0.55) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL5070267 0.85 AAK1 (0.55) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL27895372 0.85 MTNR1A (0.49) MTNR1AMTNR1BACACBACACACA1
SCHEMBL18290032 0.84 MTNR1A (0.48) MTNR1AMTNR1BACACBACACACA1

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 MAPT 4668/4885GAA 2237/4885TSHR 4539/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 MAPT 4668/4885GAA 2237/4885TSHR 4539/4885

“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.