SCHEMBL6018412

SCHEMBL6018412

CN(CCC1CCC(CCNCCCCCO)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.56
ACHE P22303 6/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP8 P22894 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6018414 1.00 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019097 1.00 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019101 1.00 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019160 0.94 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019024 0.94 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019164 0.94 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6019017 0.94 LSS (0.56) LSSACHEADAMTS4MMP8ADAMTS5
SCHEMBL6018667 0.86 LSS (0.60) LSSACHEMEN1KMT2A
SCHEMBL6018663 0.86 LSS (0.60) LSSACHEMEN1KMT2A
SCHEMBL6018985 0.84 LSS (0.62) LSSACHEADAMTS4MMP8ADAMTS5

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 4 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
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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 (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 1/4885ACHE 1484/4885ADAMTS4 4280/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885ACHE 2571/4885ADAMTS4 4508/4885

“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.