SCHEMBL5024817

SCHEMBL5024817

COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](C)C[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HSD17B1 P14061 2/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.42
ESR1 P03372 4/20 0.42
STS P08842 5/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5028348 1.00 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6464944 0.87 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7887224 0.87 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6461945 0.87 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6466887 0.87 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14421698 0.83 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12364241 0.83 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2244884 0.83 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5024255 0.83 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6535977 0.83 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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
EP-1427748-B1 17ALPHA-HYDROXY-14BETA-STEROIDS WITH HORMONAL EFFECT ORGANON NV (NL) 2008-05-14 EP disclosed
US-7169769-B2 17α-hydroxy-14β-steroids with hormonal effect AKZO NOBEL N.V. (NL) 2007-01-30 US disclosed
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
US-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect MERCK SHARP & DOHME B.V. (NL) 2004-12-23 US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 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-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect CYP17A1, HSD17B11, NR5A1 LMNA 2554/4885HSD17B1 13/4885MAPT 4506/4885

“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.