SCHEMBL3583236

SCHEMBL3583236

COC(=O)c1cc(OC)c2c(c1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.56
USP30 Q70CQ3 2/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRM4 P08173 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
NOTUM Q6P988 1/20 0.44
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
NR1H2 P55055 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL3574249 0.89 NOTUM (0.45) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL19260109 0.88 UCHL1 (0.70) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL5222755 0.79 UCHL1 (0.51) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL5222762 0.79 UCHL1 (0.51) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL3571209 0.79 HDAC1 (0.53) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL29940282 0.79 HDAC1 (0.53) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL17462455 0.77 ESR2 (0.52) UCHL1USP30HDAC6NR1H2MAPT
SCHEMBL3904844 0.77 NOTUM (0.49) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL19260114 0.77 USP30 (0.64) UCHL1USP30HDAC1HDAC6PDCD1
SCHEMBL8111090 0.77 UCHL1 (0.45) UCHL1USP30HDAC1HDAC6CHRM4

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
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 US 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 (1 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 UCHL1 1694/4885USP30 2765/4885HDAC1 580/4885

“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.