SCHEMBL6018423

SCHEMBL6018423

CN(CC[C@H]1CC[C@H](/C=C/CO)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
NR1H2 P55055 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6019862 1.00 LSS (0.32) LSSFPR3FPR2NR1H2HDAC6
SCHEMBL6019858 1.00 LSS (0.32) LSSFPR3FPR2NR1H2HDAC6
SCHEMBL6018426 1.00 LSS (0.32) LSSFPR3FPR2NR1H2HDAC6
SCHEMBL6020082 0.83 LSS (0.34) LSSFPR3FPR2NR1H2HDAC6
SCHEMBL6020084 0.83 LSS (0.34) LSSFPR3FPR2NR1H2HDAC6
SCHEMBL5025593 0.82 NR1H2 (0.42) LSSFPR3FPR2NR1H2
SCHEMBL6018377 0.82 LSS (0.36) LSSFPR3FPR2NR1H2
SCHEMBL6018374 0.82 LSS (0.36) LSSFPR3FPR2NR1H2
SCHEMBL5025592 0.82 NR1H2 (0.42) LSSFPR3FPR2NR1H2
SCHEMBL6018882 0.80 NFKB1 (0.34) LSSHDAC6

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 1/4885FPR3 2779/4885FPR2 2872/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885FPR3 2296/4885FPR2 2123/4885

“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.