SCHEMBL30736445

SCHEMBL30736445

O=C(/C=C/c1cccc(F)c1)c1ccc(O)c(O)c1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.68
CYP1A1 P04798 2/20 0.68
TERT O14746 1/20 0.67
MAOB P27338 5/20 0.59
NR1H4 Q96RI1 1/20 0.56
P4HB P07237 1/20 0.56
NQO2 P16083 1/20 0.53
PTGS1 P23219 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAOA P21397 2/20 0.51
HSP90AA1 P07900 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL31436356 1.00 CYP1B1 (0.68) CYP1B1CYP1A1TERTMAOBNR1H4
SCHEMBL30736439 0.85 TERT (0.70) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL31436349 0.85 TERT (0.70) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL2541146 0.85 TERT (0.70) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL2541144 0.85 TERT (0.70) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL31436362 0.83 TERT (0.67) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL9702240 0.83 CYP3A4 (0.71) CYP1B1CYP1A1MAOBNR1H4P4HB
SCHEMBL9702245 0.83 CYP3A4 (0.71) CYP1B1CYP1A1MAOBNR1H4P4HB
SCHEMBL30736468 0.83 TERT (0.67) TERTMAOBNR1H4ALDH1A1MAOA
SCHEMBL4953081 0.83 GUSB (0.71) CYP1B1CYP1A1MAOBNR1H4ALDH1A1

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
US-20250228795-A1 ESTROGENIC COMPOUNDS AND METHODS OF USE IATERION, INC. 2025-07-17 US disclosed
EP-4561560-A1 ESTROGENIC COMPOUNDS AND METHODS OF USE Iaterion, Inc. (US) 2025-06-04 EP disclosed
CN-119677514-A Estrogenic compounds and methods of use 益特瑞恩公司 2025-03-21 CN disclosed
WO-2024026034-A1 ESTROGENIC COMPOUNDS AND METHODS OF USE IATERION, INC. (US) 2024-02-01 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-20250228795-A1 ESTROGENIC COMPOUNDS AND METHODS OF USE ESR1, ESR2, CYP19A1 CYP1B1 158/4885CYP1A1 121/4885TERT 3056/4885

“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.