SCHEMBL630252

SCHEMBL630252

COC(=O)C(C)(C)CCCC1CCc2cc(OC)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.51
CYP19A1 P11511 2/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ACHE P22303 3/20 0.47
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
MCHR1 Q99705 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NQO2 P16083 4/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 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
SCHEMBL4622590 0.80 CYP26A1 (0.56) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4622326 0.77 CYP26A1 (0.58) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4622235 0.77 CA1 (0.55) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL7358988 0.77 CYP26A1 (0.55) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL7288575 0.76 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4623036 0.76 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4621033 0.74 CYP26A1 (0.61) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4621232 0.74 CA1 (0.57) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4621214 0.74 MTNR1A (0.64) CYP26A1CYP19A1CA1CA2ACHE
Hydrochloric Acid SCHEMBL4624090 0.74 CYP19A1 (0.54) CYP26A1CYP19A1CA1CA2ACHE

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 CYP26A1 2790/4885CYP19A1 1316/4885CA1 3771/4885

“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.