SCHEMBL630841

SCHEMBL630841

COc1ccc2c(c1)CCC(C)C2=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
CYP24A1 Q07973 6/20 0.56
CYP27A1 Q02318 3/20 0.56
CYP26A1 O43174 3/20 0.56
CYP19A1 P11511 1/20 0.56
METAP1 P53582 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MPO P05164 1/20 0.49
DRD3 P35462 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
SCHEMBL14286892 0.91 ACHE (0.55) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL5237012 0.87 ACHE (0.71) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL5237022 0.87 ACHE (0.71) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL5237018 0.87 ACHE (0.71) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL13039619 0.85 DRD2 (0.60) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL4708247 0.85 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7271049 0.84 CYP24A1 (0.56) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL316629 0.83 ACHE (0.76) ACHECYP19A1METAP1HTR2AHTR2C
SCHEMBL22867686 0.83 CYP24A1 (0.55) ACHECYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL2440274 0.83 CYP24A1 (0.56) ACHECYP24A1CYP27A1CYP26A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113518805-B Photoinitiator 意大利艾坚蒙树脂有限公司 2023-08-08 CN disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-5296508-A Anticholesterol agents for cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-03-22 US disclosed
US-5204373-A Anticholesterol agents BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-20 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ACHE 1237/4885CYP24A1 3784/4885CYP27A1 948/4885

“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.