SCHEMBL4773196

SCHEMBL4773196

CCCC(C(=O)OCC)C(=O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL8409948 0.88 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL5146402 0.86 TDP1 (0.37) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL7029641 0.85 ZDHHC7 (0.43) TDP1MEN1KMT2AMAPTL3MBTL1
SCHEMBL31610 0.84 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL717299 0.83 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL27008515 0.82 L3MBTL1 (0.49) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL27321299 0.82 TDP1 (0.46) TDP1MEN1KMT2AALDH1A1POLB
Ammonia Solution, Strong SCHEMBL15710720 0.82 TDP1 (0.46) TDP1MEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL27504364 0.82 TDP1 (0.46) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL27324536 0.80 TDP1 (0.44) TDP1MEN1KMT2AALDH1A1POLB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 US disclosed
EP-1880998-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-01-23 EP disclosed
US-7301031-B2 Methods for producing hydroxy amino acids, esters, and derivatives thereof BIOCATALYTICS, INC. (US) 2007-11-27 US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
EP-1648899-B1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-01-03 EP disclosed
EP-1560822-B1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORP (US) 2006-08-09 EP disclosed
US-6951864-B2 4-imidazol-1-ylmethyl-pyrimidine derivatives NEUROGEN CORP. (US) 2005-10-04 US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 US disclosed
EP-1560822-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS Neurogen Corporation (US) 2005-08-10 EP disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 US disclosed
US-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-02-17 US disclosed
WO-2005012306-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-10 WO disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 US disclosed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 US disclosed
WO-2004041808-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORPORATION (GB) 2004-05-21 WO disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 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 (6 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK TDP1 2164/4885MEN1 4215/4885KMT2A 1691/4885
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives GABRA1, GABRA4, GABRA3 TDP1 1129/4885MEN1 4538/4885KMT2A 2274/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 TDP1 2778/4885MEN1 3827/4885KMT2A 548/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 TDP1 3149/4885MEN1 4144/4885KMT2A 1034/4885
US-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands GABRA3, GABRA1, GABBR1 TDP1 1301/4885MEN1 4323/4885KMT2A 3001/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 TDP1 1301/4885MEN1 4323/4885KMT2A 3001/4885

“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.