SCHEMBL6843539

SCHEMBL6843539

CCCC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
AR P10275 6/20 0.51
PGR P06401 5/20 0.47
NR3C2 P08235 2/20 0.47
SERPINA6 P08185 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MCL1 Q07820 1/20 0.44
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44
SHBG P04278 1/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 3/20 0.42
NR1I2 O75469 1/20 0.42
NR3C1 P04150 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 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
SCHEMBL6836735 1.00 LMNA (0.57) LMNAMAPTARPGRNR3C2
SCHEMBL13139939 0.93 MAPT (0.63) LMNAMAPTARPGRNR3C2
SCHEMBL12639003 0.93 MAPT (0.63) LMNAMAPTARPGRNR3C2
SCHEMBL6836733 0.92 MAPT (0.57) LMNAMAPTARPGRNR3C2
SCHEMBL12672221 0.89 LMNA (0.54) LMNAMAPTARPGRNR3C2
SCHEMBL13178781 0.89 LMNA (0.54) LMNAMAPTARPGRNR3C2
SCHEMBL8377744 0.89 LMNA (0.54) LMNAMAPTARPGRNR3C2
SCHEMBL7032081 0.89 LMNA (0.54) LMNAMAPTARPGRNR3C2
SCHEMBL24711298 0.88 LMNA (0.53) LMNAMAPTARPGRNR3C2
SCHEMBL13139922 0.88 LMNA (0.56) LMNAMAPTARPGRNR3C2

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
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens AKZO NOBEL N.V. (NL) 2004-10-21 US disclosed
US-6756366-B1 19-NORTESTOSTERONE DERIVATIVES; ORALLY ACTIVE; HIGH POTENCY AKZO NOBEL N.V. (NL) 2004-06-29 US disclosed
EP-1212345-B1 ORALLY ACTIVE 7-ALPHA-ALKYL ANDROGENS AKZO NOBEL NV (NL) 2003-08-06 EP disclosed
EP-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 EP disclosed
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 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-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG LMNA 2933/4885MAPT 4235/4885AR 2/4885

“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.