SCHEMBL5009864

SCHEMBL5009864

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OCCOCC(=O)O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 2/20 0.86
▸ CYP46A1 Q9Y6A2 2/20 0.69
▸ OSBP P22059 3/20 0.65
▸ USP2 O75604 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ ABCB1 P08183 1/20 0.65
▸ RORC P51449 1/20 0.65
▸ OSBP2 Q969R2 1/20 0.65
▸ GBA1 P04062 2/20 0.63
▸ UGCG Q16739 2/20 0.63
▸ GBA2 Q9HCG7 2/20 0.63
▸ NPC1L1 Q9UHC9 5/20 0.63
▸ NR1H3 Q13133 3/20 0.58
▸ EPHA2 P29317 1/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56

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
SCHEMBL2474688 1.00 POLA1 (0.86) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL16790328 1.00 POLA1 (0.86) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL22662412 1.00 POLA1 (0.86) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL17149949 0.99 POLA1 (0.85) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL17775751 0.99 POLA1 (0.85) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL16306859 0.93 POLA1 (1.00) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL587901 0.93 POLA1 (1.00) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL1708156 0.93 POLA1 (1.00) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL13147079 0.93 POLA1 (1.00) POLA1CYP46A1OSBPUSP2LMNA
SCHEMBL587902 0.93 POLA1 (1.00) POLA1CYP46A1OSBPUSP2LMNA

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-7455856-B2 Lipid-derivatized bisphosphonic acid MCS MICRO CARRIER SYSTEMS GMBH (DE) 2008-11-25 — — US disclosed
US-20070154537-A1 Lipid-derivatized bisphosphonic acid MCS MICRO CARRIER SYSTEMS GMBH (DE) 2007-07-05 — — 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-20070154537-A1 Lipid-derivatized bisphosphonic acid SGMS1, PHOSPHO1, SGMS2 POLA1 3262/4885CYP46A1 309/4885OSBP 29/4885

“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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