SCHEMBL5818558

SCHEMBL5818558

CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 1.00
ESR2 Q92731 10/20 1.00
CYP19A1 P11511 8/20 1.00
PTGS2 P35354 1/20 0.73
PGR P06401 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2A6 P11509 1/20 0.68
CYP3A5 P20815 1/20 0.68

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
SCHEMBL23851086 1.00 ESR1 (1.00) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL7723356 1.00 ESR1 (1.00) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL5354177 1.00 ESR1 (1.00) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL639225 1.00 ESR1 (1.00) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL5354173 1.00 ESR1 (1.00) ESR1ESR2CYP19A1PTGS2PGR
Phenol SCHEMBL7723405 0.98 ESR1 (0.96) ESR1ESR2CYP19A1PTGS2PGR
Phenol SCHEMBL10796314 0.98 ESR1 (0.96) ESR1ESR2CYP19A1PTGS2PGR
Phenol SCHEMBL10796309 0.98 ESR1 (0.96) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL13524705 0.93 ESR1 (0.86) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL9451158 0.91 ESR1 (0.83) ESR1ESR2CYP19A1PTGS2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113347965-B TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2025-02-18 CN disclosed
EP-4311546-A1 COMBINATION THERAPY FOR MYOPATHIES Dynacure (FR) 2024-01-31 EP disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
EP-3883556-A2 TGF? INHIBITOR AND PRODRUGS Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2021-09-29 EP disclosed
CN-113347965-A TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2021-09-03 CN disclosed
WO-2006005856-A1 USE OF POLYPHENOL ETHYLENE ORGANOMETALLIC DERIVATIVES FOR TREATING A NON-HORMONE DEPENDENT CANCER CHASTENET, BERTRAND (FR) 2006-01-19 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 ESR1 2521/4885ESR2 876/4885CYP19A1 557/4885

“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.