SCHEMBL4994157

SCHEMBL4994157

CCOC(=O)CC(=O)c1ccc(CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
PLK1 P53350 1/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL14543572 0.88 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL11515591 0.87 TSHR (0.66) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL19073513 0.86 KMT2A (0.49) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL27978253 0.86 CA12 (0.49) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL13516645 0.86 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL8514914 0.85 SMN1; SMN2 (0.50) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL572 0.85 KMT2A (0.58) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL10539937 0.85 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL8585196 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL8085697 0.84 CA12 (0.61) ALDH1A1TDP1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558833-B Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-03-04 CN disclosed
EP-2699577-A1 TETRAHYDROPYRAZOLO [1,5 -A]PYRIMIDINE AS ANTI -TUBERCULOSIS COMPOUNDS Glaxo Group Limited (GB) 2014-02-26 EP disclosed
CN-103596958-A Tetrahydropyrazolo [1,5 -a] pyrimidine as anti -tuberculosis compounds GLAXO GROUP LTD 2014-02-19 CN disclosed
US-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-02-06 US disclosed
US-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-02-06 US disclosed
US-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-02-06 US disclosed
WO-2012143522-A1 TETRAHYDROPYRAZOLO [1,5 -A] PYRIMIDINE AS ANTI -TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-10-26 WO disclosed
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 EP disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 WO 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-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS TBL3, NDUFV3, NME2 ALDH1A1 1939/4885TDP1 2101/4885KMT2A 2935/4885

“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.