SCHEMBL22797462

SCHEMBL22797462

COC1O[C@]2(CC[C@H]2OC(=O)c2ccccc2)C2OC(C)(C)OC12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
TSHR P16473 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
ABCB1 P08183 3/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL22797563 1.00 GAA (0.40) GAAALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL22797529 1.00 GAA (0.40) GAAALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL22797517 1.00 GAA (0.40) GAAALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL22797528 1.00 GAA (0.40) GAAALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL24674052 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1
SCHEMBL24674053 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1
SCHEMBL24673918 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1
SCHEMBL24674049 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1
SCHEMBL24673074 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1
SCHEMBL24674047 0.89 GAA (0.41) GAAALDH1A1APOBEC3AAPOBEC3GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 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 (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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 GAA 3330/4885ALDH1A1 248/4885APOBEC3A 2026/4885

“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.