SCHEMBL6836638

SCHEMBL6836638

CCC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.71
SHBG P04278 2/20 0.62
SERPINA6 P08185 2/20 0.62
SLC22A1 O15245 1/20 0.62
ALDH1A1 P00352 1/20 0.62
THRB P10828 1/20 0.62
PGR P06401 6/20 0.48
NR3C2 P08235 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CYP19A1 P11511 3/20 0.47
CYP3A4 P08684 2/20 0.47
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44

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
SCHEMBL7706417 1.00 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102607 0.91 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836662 0.91 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102603 0.91 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6241583 0.91 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841921 0.91 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL16875673 0.90 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL4259619 0.89 AR (0.67) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6905409 0.89 AR (0.67) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL13397457 0.88 AR (0.57) 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
EP-0262201-B1 PROCESS FOR PRODUCING 7$g(a)-PROPYLSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-27 EP claimed
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens AKZO NOBEL N.V. (NL) 2004-10-21 US disclosed
US-6756366-B1 19-NORTESTOSTERONE DERIVATIVES; ORALLY ACTIVE; HIGH POTENCY AKZO NOBEL N.V. (NL) 2004-06-29 US disclosed
EP-1212345-B1 ORALLY ACTIVE 7-ALPHA-ALKYL ANDROGENS AKZO NOBEL NV (NL) 2003-08-06 EP disclosed
EP-0262201-B1 PROCESS FOR PRODUCING 7$g(a)-PROPYLSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-27 EP 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.