Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808637

SCHEMBL4808637

SCHEMBL4808637

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX2 P34913 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MLYCD O95822 1/20 0.32

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
SCHEMBL4804312 0.96 ALDH1A1 (0.45) SMYD3ALDH1A1ALOX15TDP1USP2
SCHEMBL4803390 0.82 KDM5A (0.43) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL4803394 0.82 KDM5A (0.43) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL7380787 0.80 EPHX1 (0.38) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL4805356 0.80 HRH3 (0.33) ALDH1A1KMT2AMEN1
SCHEMBL23440822 0.80 SMYD3 (0.49) SMYD3ALDH1A1ALOX15TDP1USP2
SCHEMBL21647673 0.80 SMYD3 (0.49) SMYD3ALDH1A1ALOX15TDP1USP2
SCHEMBL4806152 0.78 MAPT (0.38) ALDH1A1ALOX15TDP1USP2TSHR
SCHEMBL8585956 0.78 NR1H2 (0.42) ALDH1A1KMT2AGAAEPHX2METAP1
SCHEMBL8585954 0.78 NR1H2 (0.42) ALDH1A1KMT2AGAAEPHX2METAP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 — — EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 — — US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 — — US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 — — US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 — — EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 — — 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SMYD3 3780/4885ALDH1A1 2260/4885ALOX15 48/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SMYD3 3780/4885ALDH1A1 2260/4885ALOX15 48/4885

“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.