SCHEMBL2388331

SCHEMBL2388331

COCC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.49
EPAS1 Q99814 4/20 0.49
SERPINE1 P05121 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.44
MDH1 P40925 2/20 0.43
MDH2 P40926 2/20 0.43
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
EPHX2 P34913 3/20 0.42
LMNA P02545 1/20 0.41
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9126429 0.83 HIF1A (0.60) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL28094060 0.82 SERPINE1 (0.50) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL7501343 0.81 HIF1A (0.48) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL9124033 0.79 SERPINE1 (0.55) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL422675 0.79 SERPINE1 (0.58) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL28197968 0.78 HIF1A (0.55) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL27847928 0.73 MEN1 (0.59) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL417009 0.72 RAB9A (0.53) HIF1AEPAS1KMT2AMEN1RAB9A
SCHEMBL9124063 0.72 HIF1A (0.51) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL28906363 0.72 RARA (0.56) KMT2AMEN1CNR2EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450377-B2 1-adamantyl chalcones for the treatment of proliferative disorders ANDERSON GLORIA L (US) 2013-05-28 US disclosed
US-20110319483-A1 1-ADAMANTYL CHALCONES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ANDERSON GLORIA L (US) 2011-12-29 US disclosed
US-8013020-B2 1-adamantyl chalcones for the treatment of proliferative disorders Anderson et al., Gloria L. (US) 2011-09-06 US disclosed
US-20090281196-A1 1-ADAMANTYL CHALCONES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ANDERSON GLORIA L 2009-11-12 US disclosed
US-7563789-B2 1-Adamantyl chalcones for the treatment of proliferative disorders ANDERSON GLORIA LONG 2009-07-21 US disclosed
US-20060189580-A1 1-Adamantyl chalcones for the treatment of proliferative disorders ANDERSON GLORIA L 2006-08-24 US disclosed
US-20050065152-A1 1-Adamantyl chalcones for the treatment of proliferative disorders ANDERSON GLORIA L (US) 2005-03-24 US disclosed
US-6864264-B1 1-adamantyl chalcones for the treatment of proliferative disorders ANDERSON GLORIA L (US) 2005-03-08 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-20050065152-A1 1-Adamantyl chalcones for the treatment of proliferative disorders BRCA1, CYP19A1, HSD17B11 HIF1A 1103/4885EPAS1 3057/4885SERPINE1 436/4885
US-20060189580-A1 1-Adamantyl chalcones for the treatment of proliferative disorders BRCA1, CYP19A1, HSD17B11 HIF1A 1103/4885EPAS1 3057/4885SERPINE1 436/4885
US-20090281196-A1 1-ADAMANTYL CHALCONES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRCA1, CYP19A1, HSD17B11 HIF1A 1103/4885EPAS1 3057/4885SERPINE1 436/4885
US-20110319483-A1 1-ADAMANTYL CHALCONES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRCA1, CYP19A1, HSD17B11 HIF1A 1103/4885EPAS1 3057/4885SERPINE1 436/4885

“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.