SCHEMBL2139598

SCHEMBL2139598

CCCCCCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.56
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41

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
SCHEMBL10590591 0.90 ESR1 (0.59) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29228901 0.90 ESR1 (0.59) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10592549 0.85 ESR1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11807929 0.85 ESR1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL439370 0.85 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1264788 0.85 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5909518 0.85 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13509243 0.85 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL539846 0.85 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL76574 0.85 LMNA (0.41) NR5A2NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722276-A1 LOW MELTING CARBOXAMIDE HALS FOR IMPROVED STABILIZATION OF POLYAMIDES CLARIANT INTERNATIONAL LTD (CH) 2026-04-08 EP disclosed
EP-4722284-A1 LOW MELTING CARBOXAMIDE HALS FOR IMPROVED STABILIZATION OF POLYMERS OR RESINS CLARIANT INTERNATIONAL LTD (CH) 2026-04-08 EP disclosed
US-20110054220-A1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT GOH CHIN SIONG 2011-03-03 US 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-20110054220-A1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT PUF60, GPX4, AOX1 ESR1 1476/4885AKR1C4 20/4885AKR1C3 21/4885

“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.