SCHEMBL21413967

SCHEMBL21413967

C=C(CNC(=O)CO[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCCC(C)C)C1)OC

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.75
▸ CYP46A1 Q9Y6A2 2/20 0.65
▸ NPC1L1 Q9UHC9 4/20 0.61
▸ OSBP P22059 3/20 0.60
▸ USP2 O75604 2/20 0.60
▸ RORC P51449 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ABCB1 P08183 1/20 0.60
▸ OSBP2 Q969R2 1/20 0.60
▸ GBA1 P04062 2/20 0.56
▸ UGCG Q16739 2/20 0.56
▸ GBA2 Q9HCG7 2/20 0.56
▸ NR1H3 Q13133 4/20 0.54
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52

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
SCHEMBL21413968 0.93 POLA1 (0.79) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL17149881 0.93 POLA1 (0.77) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL21413966 0.92 POLA1 (0.78) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL17149877 0.92 POLA1 (0.84) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL1707118 0.87 POLA1 (0.76) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL16306859 0.86 POLA1 (1.00) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL12947846 0.86 POLA1 (0.87) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL13147079 0.86 POLA1 (1.00) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL1708156 0.86 POLA1 (1.00) POLA1CYP46A1NPC1L1OSBPUSP2
SCHEMBL15398207 0.86 POLA1 (0.87) POLA1CYP46A1NPC1L1OSBPUSP2

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-10426753-B2 Supramolecular combinatorial therapeutics INVICTUS ONCOLOGY PVT. LTD. (IN) 2019-10-01 — — 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-10426753-B2 Supramolecular combinatorial therapeutics PDCD1LG2, PDCD1, ERBB3 POLA1 3019/4885CYP46A1 2429/4885NPC1L1 1321/4885

“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.

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