SCHEMBL25283017

SCHEMBL25283017

CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC/C=C\C/C=C\CCCCC)cc(C(=O)OCCCCN(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.54
▸ AKR1C4 P17516 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL25278732 0.97 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25231397 0.95 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25708309 0.91 ESR1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16012922 0.88 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21300622 0.88 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16012923 0.88 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25231392 0.86 CYP2D6 (0.55) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22503893 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16013504 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16013505 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452930-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES Beam Therapeutics Inc. (US) 2024-10-30 — — EP disclosed
US-20240335543-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES BEAM THERAPEUTICS INC. 2024-10-10 — — US disclosed
WO-2023121970-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES BEAM THERAPEUTICS INC. (US) 2023-06-29 — — WO disclosed
WO-2023121970-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES BEAM THERAPEUTICS INC. (US) 2023-06-29 — — WO 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-20240335543-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES PHOSPHO1, SGMS1, SGMS2 ESR1 1091/4885AKR1C4 3704/4885AKR1C3 3429/4885

“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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