SCHEMBL6018955

SCHEMBL6018955

CN(CC1CCC(OCCCCOS(C)(=O)=O)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.41
LMNA P02545 5/20 0.35
POLB P06746 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PYGL P06737 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
ACHE P22303 1/20 0.34
ATF4 P18848 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL6018951 1.00 LSS (0.41) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6019198 0.91 LSS (0.48) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6019193 0.91 LSS (0.48) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6019087 0.89 LSS (0.48) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6019091 0.89 LSS (0.48) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6018465 0.88 LSS (0.47) LSSLMNAL3MBTL1PYGLMAPT
SCHEMBL6018471 0.88 LSS (0.47) LSSLMNAL3MBTL1PYGLMAPT
SCHEMBL6020125 0.86 LSS (0.49) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6020121 0.86 LSS (0.49) LSSLMNAPOLBTAS2R14L3MBTL1
SCHEMBL6018678 0.84 LSS (0.46) LSSLMNAPOLBTAS2R14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 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 (2 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885LMNA 280/4885POLB 3140/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 485/4885POLB 3501/4885

“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.