SCHEMBL13765460

SCHEMBL13765460

CC(=O)OCOCC(CC(C)C)(C(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL13020530 0.88 MMP8 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13020531 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHRMMP8
SCHEMBL12963338 0.83 MMP8 (0.43) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13765456 0.81 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13769708 0.81 MEN1 (0.31) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL16318255 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL16318225 0.78 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13770322 0.77
SCHEMBL13765488 0.75 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13020678 0.74 MMP8 (0.36) ALDH1A1LMNAHSD17B10MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 US disclosed
WO-2009086192-A1 BIODEGRADABLE PHOSPHATE PROTECTED NUCLEOTIDE DERIVATIVES AND THEIR USE AS CANCER, ANTI VIRAL AND ANTI PARASITIC AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed
WO-2009086201-A1 2-5A ANALOGS AND THEIR USE AS ANTI-CANCER, ANTI-VIRAL AND ANTI- PARAS ITI C AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed
US-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC. (US) 2009-07-09 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 (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-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS NTPCR, NT5C2, PNP MEN1 1294/4885KMT2A 2834/4885ALDH1A1 941/4885
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 MEN1 2943/4885KMT2A 1495/4885ALDH1A1 1161/4885

“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.