SCHEMBL6019079

SCHEMBL6019079

CN(CCC1CCC(/C=C/CCl)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.58
ACHE P22303 6/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6019096 1.00 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6019083 1.00 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6019092 1.00 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6018758 0.91 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6018775 0.91 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6018766 0.91 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6018770 0.91 LSS (0.58) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6019154 0.90 LSS (0.60) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6019167 0.90 LSS (0.60) LSSACHEMAPTSMN1; SMN2BCHE
SCHEMBL6019156 0.90 LSS (0.60) LSSACHEMAPTSMN1; SMN2BCHE

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 1/4885ACHE 1484/4885MAPT 4787/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885ACHE 2571/4885MAPT 4784/4885

“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.