SCHEMBL4807385

SCHEMBL4807385

O=CC1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.51
F13A1 P00488 1/20 0.51
TGM1 P22735 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44

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
SCHEMBL29955637 1.00 TGM2 (0.51) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL8393648 0.90 LMNA (0.58) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL31333768 0.86 HTT (0.52) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL15778881 0.86 HTT (0.52) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL14451405 0.85 LMNA (0.54) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL7770012 0.85 ALDH1A1 (0.50) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL29652185 0.85 LMNA (0.52) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL14451403 0.85 LMNA (0.52) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL8029231 0.85 ALDH1A1 (0.61) TGM2F13A1TGM1ALDH1A1LMNA
SCHEMBL8395084 0.85 ALDH1A1 (0.58) TGM2F13A1TGM1ALDH1A1LMNA

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 8 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
EP-0296612-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-12-28 EP 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 TGM2 344/4885F13A1 2809/4885TGM1 742/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 TGM2 344/4885F13A1 2809/4885TGM1 742/4885

“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.