Sugi Predict

Sugi Predict / Compounds / SCHEMBL6018889

SCHEMBL6018889

SCHEMBL6018889

CCOC(=O)CC[C@H]1CC[C@H](CCN(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL6018881 1.00 ALDH1A1 (0.39) ALDH1A1TDP1USP2ALOX15NFKB1
SCHEMBL499027 0.82 SMN1; SMN2 (0.40) ALDH1A1NFKB1NFKB2RELAMEN1
SCHEMBL27613994 0.81 LSS (0.34) ALDH1A1NFKB1NFKB2RELAKMT2A
SCHEMBL5025592 0.80 NR1H2 (0.42) ALDH1A1KMT2ALSSFPR3FPR2
SCHEMBL6018377 0.80 LSS (0.36) ALDH1A1KMT2ALSSFPR3FPR2
SCHEMBL6018374 0.80 LSS (0.36) ALDH1A1KMT2ALSSFPR3FPR2
SCHEMBL5025593 0.80 NR1H2 (0.42) ALDH1A1KMT2ALSSFPR3FPR2
SCHEMBL14822004 0.80 CYP1A2 (0.44) ALDH1A1TDP1USP2ALOX15NFKB1
SCHEMBL27374399 0.79 HTR2C (0.37) ALDH1A1KMT2ALSSFPR3FPR2
SCHEMBL24439553 0.79 LSS (0.38) NFKB1NFKB2RELAMAPTCA12

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 ALDH1A1 629/4885TDP1 3462/4885USP2 2134/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 ALDH1A1 498/4885TDP1 2476/4885USP2 2430/4885

“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.