Sugi Predict

Sugi Predict / Compounds / SCHEMBL6018875

SCHEMBL6018875

SCHEMBL6018875

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL6018870 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL753960 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6019483 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6018877 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6019486 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6018871 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL5164415 0.81 CTSS (0.34) ALDH1A1KMT2AMAPTTDP1L3MBTL1
SCHEMBL5165563 0.81 CTSS (0.34) ALDH1A1KMT2AMAPTTDP1L3MBTL1
SCHEMBL23792031 0.81 GAA (0.42) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL5025642 0.80 KMT2A (0.46) ALDH1A1KMT2AMEN1L3MBTL1CYP2C9

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 629/4885KMT2A 3669/4885MEN1 1351/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 ALDH1A1 498/4885KMT2A 3436/4885MEN1 1767/4885

“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.