SCHEMBL14554227

SCHEMBL14554227

COc1ccc(C(OCC2CN(C(=O)CCCNC(=O)O[C@H]3CC[C@@]4(C)C(=CCC5C4CC[C@@]4(C)C5CC[C@@H]4C(C)CCCC(C)C)C3)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.51
CYP46A1 Q9Y6A2 2/20 0.48
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
ABCB1 P08183 1/20 0.46
OSBP P22059 1/20 0.46
RORC P51449 1/20 0.46
OSBP2 Q969R2 1/20 0.46
NR1H3 Q13133 3/20 0.46
GBA1 P04062 2/20 0.45
UGCG Q16739 2/20 0.45
GBA2 Q9HCG7 2/20 0.45
PLA2G2A P14555 1/20 0.44
EPHA2 P29317 4/20 0.44
NPC1L1 Q9UHC9 2/20 0.44
NPC1 O15118 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
SCHEMBL17468531 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL863221 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL345099 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL14538772 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL14046807 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL24141906 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL14534344 0.98 POLA1 (0.50) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL22757123 0.93 POLA1 (0.49) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL14878927 0.92 POLA1 (0.46) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16995494 0.92 POLA1 (0.44) POLA1CYP46A1USP2LMNAABCB1

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-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes BANK OF AMERICA, N.A. 2013-01-10 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-20130012572-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes GSK3A, GSK3B, GSKIP POLA1 1416/4885CYP46A1 2344/4885USP2 1919/4885

“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.