Estramustine

Estramustine

SCHEMBL29349776

CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ ESR1 P03372 6/20 0.76
▸ ADORA3 P0DMS8 3/20 0.76
▸ INPPL1 O15357 1/20 0.76
▸ PTPN1 P18031 1/20 0.76
▸ DRD1 P21728 1/20 0.76
▸ PTPN6 P29350 1/20 0.76
▸ KDR P35968 1/20 0.76
▸ PTPN11 Q06124 1/20 0.76
▸ LMNA P02545 5/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ ATM Q13315 2/20 0.73
▸ PGR P06401 2/20 0.73
▸ AR P10275 2/20 0.73
▸ SLC6A3 Q01959 2/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ TBXA2R P21731 1/20 0.73
▸ ADRA1A P35348 1/20 0.73
▸ OPRM1 P35372 1/20 0.73

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
Estramustine SCHEMBL13753350 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL14031683 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL8173336 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL29374661 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL7200287 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL6353316 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL2348477 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL4252 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL679202 0.99 RECQL (0.98) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL7621246 0.99 RECQL (0.98) RECQLBLMESR1ADORA3INPPL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086250-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-12-11 — — EP claimed
EP-4473131-A1 A METHOD OF PREDICTING RISK OF AN AGGRESSIVE OR RECURRENT CANCER OncoAssure Limited (IE) 2024-12-11 — — EP claimed
EP-4444275-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE SUBSTANCES IN NANOPARTICLES Karlsruher Institut für Technologie (DE) 2024-10-16 — — EP claimed
WO-2023186985-A1 A METHOD OF PREDICTING RISK OF AN AGGRESSIVE OR RECURRENT CANCER ONCOASSURE LIMITED (IE) 2023-10-05 — — WO claimed
EP-4253567-A1 A METHOD OF PREDICTING RISK OF AN AGGRESSIVE OR RECURRENT CANCER OncoAssure Limited (IE) 2023-10-04 — — EP claimed
EP-2796112-B2 Degradable implantable medical devices ELIXIR MEDICAL CORP (US) 2023-08-09 — — EP claimed
WO-2023104380-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE SUBSTANCES IN NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-15 — — WO claimed
EP-4190312-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE AGENTS INTO NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-07 — — EP claimed
EP-3250213-B1 COMPOSITIONS CONTAINING ARSENIC FOR USE IN METHODS OF TREATMENT EUPHARMA PTY LTD (AU) 2023-06-07 — — EP claimed
EP-3441089-B1 TREATMENT METHODS USING ADENOVIRUS VASCULAR BIOGENICS LTD (IL) 2022-12-14 — — EP claimed
WO-2025104045-A1 ALECTINIB FOR THE TREATMENT OF ALK FUSION-POSITIVE SOLID OR CNS TUMOURS F. HOFFMANN-LA ROCHE AG (CH) 2025-05-22 — — WO disclosed
US-20250114327-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-04-10 — — US disclosed
WO-2025045901-A1 TREATMENT OF NON SMALL CELL LUNG CANCER WITH ALECTINIB F. HOFFMANN-LA ROCHE AG (CH) 2025-03-06 — — WO disclosed
EP-4473131-A1 A METHOD OF PREDICTING RISK OF AN AGGRESSIVE OR RECURRENT CANCER OncoAssure Limited (IE) 2024-12-11 — — EP disclosed
EP-4444275-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE SUBSTANCES IN NANOPARTICLES Karlsruher Institut für Technologie (DE) 2024-10-16 — — EP disclosed
CN-112538038-B 2-indolone ERR alpha inverse agonist and pharmaceutical composition and application thereof 暨南大学 2022-05-20 — — CN disclosed
CN-109836427-B Pyrimidopyrimidinone compounds and application thereof 暨南大学 2022-04-15 — — CN disclosed
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 — — CN disclosed
CN-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 — — CN disclosed
CN-113966331-A Triaromatic ring compound containing urea structure and application thereof 暨南大学 2022-01-21 — — CN 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-20250114327-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND ALK, ALPI, TTR RECQL 553/4885BLM 1285/4885ESR1 3131/4885

“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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