SCHEMBL25285458

SCHEMBL25285458

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.56
▸ AKR1C3 P42330 2/20 0.56
▸ AKR1C4 P17516 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ PLA2G2A P14555 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ F7 P08709 3/20 0.50
▸ F3 P13726 3/20 0.50
▸ PPARG P37231 2/20 0.50
▸ PPARD Q03181 2/20 0.50
▸ PPARA Q07869 2/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ PTPN7 P35236 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ FFAR1 O14842 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ FABP3 P05413 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50

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
SCHEMBL28593996 0.93 ESR1 (0.49) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL28572328 0.93 ESR1 (0.49) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL22289842 0.89 ESR1 (0.69) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL29263833 0.89 ESR1 (0.69) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL22503890 0.87 ESR1 (0.53) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16013155 0.87 ESR1 (0.53) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16013154 0.87 ESR1 (0.53) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL17685778 0.87 ESR1 (0.53) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16154819 0.87 ESR1 (0.53) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL25285062 0.86 ESR1 (0.52) ESR1AKR1C3AKR1C4AKR1C2AKR1C1

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 1091/4885AKR1C3 3429/4885AKR1C4 3704/4885

“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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