SCHEMBL21628535

SCHEMBL21628535

COC(=O)c1cnc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 14/20 0.56
EPAS1 Q99814 5/20 0.50
MDH1 P40925 2/20 0.49
MDH2 P40926 2/20 0.49
EP300 Q09472 1/20 0.49
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP2 P42575 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL21628797 0.89 HIF1A (0.48) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21656653 0.88 HIF1A (0.43) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21628410 0.88 HIF1A (0.48) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21657041 0.87 HDAC6 (0.43) HIF1AEPAS1MEN1RAB9AKMT2A
SCHEMBL21628466 0.87 HIF1A (0.53) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21656658 0.86 CASP2 (0.42) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21628438 0.81 HIF1A (0.54) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21628917 0.81 HIF1A (0.36) HIF1AKMT2ALMNA
SCHEMBL21628918 0.81 HIF1A (0.36) HIF1AKMT2ALMNA
SCHEMBL21628625 0.79 TDP1 (0.46) MEN1KMT2ALMNA

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
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-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 (4 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK HIF1A 1618/4885EPAS1 982/4885MDH1 1290/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885EPAS1 870/4885MDH1 1376/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885EPAS1 870/4885MDH1 1376/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HIF1A 2000/4885EPAS1 870/4885MDH1 1376/4885

“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.