SCHEMBL13311422

SCHEMBL13311422

CC(C)CCC[C@@H](C)C1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OS(C)(=O)=O)CCC4(C)C3CCC12C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.76
CDC25A P30304 3/20 0.70
POLA1 P09884 1/20 0.70
ST6GAL1 P15907 3/20 0.69
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
INPP5D Q92835 1/20 0.65
ABCC4 O15439 1/20 0.65
GRIN1 Q05586 1/20 0.61
GRIN2B Q13224 1/20 0.61
FGF1 P05230 7/20 0.61
HPSE Q9Y251 7/20 0.61
FGF2 P09038 6/20 0.59

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
SCHEMBL13347854 1.00 VDR (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL17124639 1.00 VDR (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902867 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902302 0.91 ST6GAL1 (0.82) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL23594716 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL25063600 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902307 0.91 ST6GAL1 (0.82) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8903512 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
Ammonia Solution, Strong SCHEMBL30074798 0.90 ABCC4 (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL18195977 0.90 CDC25A (0.65) VDRCDC25APOLA1ST6GAL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 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-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS NR1H4, LDLR, NR1H3 VDR 39/4885CDC25A 4291/4885POLA1 3967/4885

“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.