SCHEMBL1610399

SCHEMBL1610399

CCC(OC1CCCCO1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 2/20 0.34
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9044977 0.88 MEN1 (0.36) MEN1KMT2ATDP1SLC6A3ITGB1
SCHEMBL20764818 0.86 MEN1 (0.34) MEN1KMT2ATDP1SLC6A3ALDH1A1
SCHEMBL9787 0.86 MEN1 (0.34) MEN1KMT2ATDP1SLC6A3ALDH1A1
SCHEMBL29087904 0.85 MEN1 (0.38) MEN1KMT2ASLC6A3ITGB1ITGA4
SCHEMBL30638082 0.85 MEN1 (0.38) MEN1KMT2ASLC6A3ITGB1ITGA4
SCHEMBL4100097 0.85 CA2 (0.38) MEN1KMT2APPARG
SCHEMBL10518210 0.83 MEN1 (0.38) MEN1KMT2A
SCHEMBL30989292 0.83 MEN1 (0.38) MEN1KMT2A
SCHEMBL9213202 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL9044354 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10085986-B2 Pyrimidinone compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 US disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
EP-2729453-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2014-05-14 EP disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO disclosed
US-8288531-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-20110087021-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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 (3 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-20110087021-A1 NOVEL PREPARATION PROCESS CYP2F1, CYP11B2, CYP11B1 MEN1 270/4885KMT2A 4366/4885TDP1 3653/4885
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TPMT, DHFR, DPYD MEN1 735/4885KMT2A 1162/4885TDP1 1216/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD MEN1 735/4885KMT2A 1162/4885TDP1 1216/4885

“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.