SCHEMBL6018731

SCHEMBL6018731

CN(CC1CCC(CCCCCBr)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.56
LIPE Q05469 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6018734 1.00 LSS (0.56) LSSLIPECYP11B1CYP11B2ADAMTS4
SCHEMBL6018475 0.89 LSS (0.62) LSSLIPEADAMTS4ADAMTS5MCHR1
SCHEMBL4798732 0.89 LSS (0.70) LSSCYP11B1CYP11B2ADAMTS4ADAMTS5
SCHEMBL4798736 0.89 LSS (0.70) LSSCYP11B1CYP11B2ADAMTS4ADAMTS5
SCHEMBL6018479 0.89 LSS (0.62) LSSLIPEADAMTS4ADAMTS5MCHR1
SCHEMBL6018370 0.87 LSS (0.60) LSSLIPEADAMTS4ADAMTS5
SCHEMBL6018366 0.87 LSS (0.60) LSSLIPEADAMTS4ADAMTS5
SCHEMBL6018364 0.85 LSS (0.66) LSS
SCHEMBL6018367 0.85 LSS (0.66) LSS
SCHEMBL6019137 0.83 LSS (0.82) LSS

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 1/4885LIPE 347/4885CYP11B1 14/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LIPE 310/4885CYP11B1 9/4885

“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.