SCHEMBL2602820

SCHEMBL2602820

CCOC(C)CCCCO[C@H](C)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.42
▸ LMNA P02545 4/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPK1 P28482 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ GMNN O75496 3/20 0.35
▸ BLM P54132 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35

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
SCHEMBL2605941 0.85 FABP3 (0.40) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL2602823 0.82 FABP3 (0.40) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL2602822 0.81 FABP3 (0.48) FABP3LMNAMAPK1MEN1GMNN
SCHEMBL13619257 0.75 FABP3 (0.40) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL14447854 0.74 LMNA (0.47) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL11120116 0.73 FABP3 (0.43) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL5959370 0.73 FABP3 (0.48) FABP3LMNAAKT1ESR1ADORA3
SCHEMBL12235485 0.72 MAPK1 (0.59) FABP3LMNAAKT1MAPK1MEN1
SCHEMBL29059526 0.72 MAPK1 (0.59) FABP3LMNAAKT1MAPK1MEN1
SCHEMBL13480679 0.72 FABP3 (0.48) FABP3LMNAAKT1ESR1ADORA3

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-8158611-B2 Methods employing and compositions containing defined oxidized phospholipids for prevention and treatment of atherosclerosis VASCULAR BIOGENICS LTD. (IL) 2012-04-17 — — US disclosed
US-20110097350-A1 METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS VASCULAR BIOGENICS LTD. (IL) 2011-04-28 — — 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-20110097350-A1 METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS PHOSPHO1, GPX4, SGMS1 FABP3 251/4885LMNA 1687/4885AKT1 3753/4885

“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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