SCHEMBL6207253

SCHEMBL6207253

CCOC(=O)Cc1ccc(CO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.55
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TBXAS1 P24557 1/20 0.46
LIPE Q05469 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
PAM P19021 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL68851 0.92 CYP4Z1 (0.62) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL10299459 0.86 CYP4Z1 (0.57) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL1107146 0.86 CYP4Z1 (0.57) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL6057577 0.86 CYP4F2 (0.59) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL68930 0.86 CYP4Z1 (0.57) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL19347765 0.85 CYP4F2 (0.74) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL18932531 0.84 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL5034285 0.84 CYP4Z1 (0.59) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL5545889 0.84 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11MAPTLMNA
SCHEMBL1179218 0.84 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
CN-102282142-A Substituted aryl compounds and their use 2011-12-14 CN disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
EP-1383769-A4 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-03 EP disclosed
EP-1121363-B1 6-SUBSTITUTED PYRAZOLO(3,4-d)PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-12-22 EP disclosed
EP-1383769-A2 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2004-01-28 EP disclosed
US-6559152-B2 For therapy of cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-05-06 US disclosed
US-6531477-B1 Treating cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-03-11 US disclosed
WO-2002067654-A3 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-10-31 WO disclosed
WO-2002067654-A2 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 WO disclosed
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
EP-1121363-A2 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-08-08 EP disclosed
WO-2000021926-A2 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 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 (4 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-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CCNK, CCNI, CDK1 CYP4Z1 1002/4885CYP4F2 2970/4885CYP4A11 1273/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL CYP4Z1 1707/4885CYP4F2 417/4885CYP4A11 449/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A CYP4Z1 2823/4885CYP4F2 722/4885CYP4A11 520/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL CYP4Z1 2306/4885CYP4F2 549/4885CYP4A11 487/4885

“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.