SCHEMBL630429

SCHEMBL630429

COc1ccc2c(c1)CCC(C(F)(F)F)C2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 8/20 0.57
CYP27A1 Q02318 3/20 0.57
CYP26A1 O43174 4/20 0.55
CYP19A1 P11511 1/20 0.52
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
METAP1 P53582 3/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL28311596 0.85 CYP24A1 (0.52) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL13039619 0.80 DRD2 (0.60) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7519184 0.79 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL630841 0.79 ACHE (0.58) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7271049 0.79 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7135478 0.79 CYP19A1 (0.49) CYP19A1DRD2HTR2C
SCHEMBL4098450 0.79 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL5753017 0.78 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL22867686 0.78 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL3587277 0.78 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP24A1 3784/4885CYP27A1 948/4885CYP26A1 2790/4885

“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.