SCHEMBL6449345

SCHEMBL6449345

CC(C)(C)OC(=O)N1CCC(C#CCCOC2CCCCO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
GPR119 Q8TDV5 4/20 0.36

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
SCHEMBL23249978 0.81 RECQL (0.47) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL4805169 0.78 LSS (0.36) MEN1KMT2A
SCHEMBL4805162 0.78 LSS (0.36) MEN1KMT2A
SCHEMBL22973125 0.78 RECQL (0.44) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL21458845 0.78 RECQL (0.44) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL6450266 0.78 HPGD (0.47) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL6450758 0.77 GPR119 (0.43) RECQLEPHX1HPGDGPR119
SCHEMBL7145839 0.76 RECQL (0.43) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL6456079 0.75 HPGD (0.49) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL23910164 0.75 NR1H2 (0.42) RECQLEPHX1HPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US 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 (1 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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 RECQL 3404/4885EPHX1 2072/4885HPGD 43/4885

“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.