SCHEMBL21628452

SCHEMBL21628452

CCOC(=O)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.52
MDH2 P40926 3/20 0.45
EPAS1 Q99814 2/20 0.45
MDH1 P40925 2/20 0.45
EP300 Q09472 1/20 0.45
PPARG P37231 4/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL21628438 0.88 HIF1A (0.54) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL19357423 0.85 HIF1A (0.55) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL20482361 0.84 HIF1A (0.51) HIF1AMDH2EPAS1PPARGPPARD
SCHEMBL21628459 0.83 HIF1A (0.50) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL21656769 0.83 STS (0.47) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL21656934 0.83 SLC6A2 (0.46) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL21628797 0.82 HIF1A (0.48) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL21628401 0.81 HDAC6 (0.48) HIF1AMDH2EPAS1MDH1EP300
SCHEMBL21628841 0.81 OPRM1 (0.40)
SCHEMBL21628569 0.80 IGFBP3 (0.48) KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (5 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885MDH2 1235/4885EPAS1 870/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HIF1A 1618/4885MDH2 1193/4885EPAS1 982/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885MDH2 1235/4885EPAS1 870/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885MDH2 1235/4885EPAS1 870/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885MDH2 1235/4885EPAS1 870/4885

“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.