SCHEMBL4755747

SCHEMBL4755747

COCC/C(N)=C/C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DDAH1 O94760 2/20 0.36
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4755748 1.00 HCAR2 (0.37) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL9454862 0.88 TSHR (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL9454865 0.88 TSHR (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL5452973 0.81 HCAR2 (0.39) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL20954523 0.81 ALDH1A1 (0.39) DDAH1TSHRALDH1A1
SCHEMBL5452972 0.81 HCAR2 (0.39) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL4910662 0.78 HCAR2 (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL7916712 0.78 HCAR2 (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL4910657 0.78 HCAR2 (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL10686341 0.78 CES1 (0.39) HCAR2KEAP1NFE2L2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 US disclosed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 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-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 HCAR2 641/4885KEAP1 1645/4885NFE2L2 580/4885

“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.