SCHEMBL4929216

SCHEMBL4929216

CCOC(=O)C(=O)CC(=O)c1cnc(C)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL5269058 0.89 POLB (0.46) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3405646 0.85 POLB (0.50) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2917709 0.84 KDM4E (0.43) POLBL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5269212 0.81 POLB (0.45) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2917891 0.81 NPC1 (0.50) POLBSMN1; SMN2KMT2AHPGDKDM4E
SCHEMBL31070388 0.79 ALDH1A1 (0.46) POLBLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL19814464 0.79 MAPT (0.46) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL31070390 0.79 ALDH1A1 (0.46) POLBLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2914204 0.79 NPSR1 (0.53) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29775711 0.79 MAPT (0.46) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 POLB 4340/4885LMNA 4599/4885L3MBTL1 4767/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 POLB 4199/4885LMNA 4596/4885L3MBTL1 3613/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 POLB 4082/4885LMNA 4352/4885L3MBTL1 3071/4885

“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.