SCHEMBL6836612

SCHEMBL6836612

C/C=C/[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.71
SHBG P04278 5/20 0.62
SERPINA6 P08185 4/20 0.62
SLC22A1 O15245 1/20 0.62
ALDH1A1 P00352 1/20 0.62
THRB P10828 1/20 0.62
CYP3A4 P08684 6/20 0.52
NR3C2 P08235 1/20 0.46
PGR P06401 3/20 0.45
ESR2 Q92731 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NR3C1 P04150 2/20 0.43
CYP19A1 P11511 2/20 0.43
TSHR P16473 2/20 0.43
SNCA P37840 2/20 0.43

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
SCHEMBL6841497 1.00 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836734 0.91 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7699350 0.91 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7699351 0.91 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841437 0.91 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL17302821 0.88 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL5026470 0.88 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24103284 0.83 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24103286 0.83 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL223290 0.83 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1

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 AR 2/4885SHBG 3/4885SERPINA6 466/4885

“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.