SCHEMBL2834009

SCHEMBL2834009

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.71
PGR P06401 8/20 0.51
NR3C2 P08235 3/20 0.51
SHBG P04278 3/20 0.48
SERPINA6 P08185 2/20 0.48
SLC22A1 O15245 1/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 2/20 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
SCHEMBL13216966 1.00 AR (0.71) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6462161 0.91 AR (0.74) ARPGRNR3C2SHBGSERPINA6
SCHEMBL13216965 0.86 AR (0.64) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7702771 0.84 AR (0.66) ARPGRNR3C2SHBGSERPINA6
SCHEMBL2832494 0.84 ALDH1A1 (0.69) PGRSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL13216858 0.84 ALDH1A1 (0.69) PGRSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24103284 0.83 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL14342101 0.83 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL24102494 0.83 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL223290 0.83 AR (1.00) ARPGRNR3C2SHBGSERPINA6

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-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids N.V. ORGANON 2010-08-12 US disclosed
EP-1470151-B1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS ORGANON NV (NL) 2009-12-30 EP disclosed
US-20050090476-A1 Process for the preparation of 7alpha-methylsteroids MERCK SHARP & DOHME B.V. (NL) 2005-04-28 US disclosed
EP-1470151-A1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS Akzo Nobel N.V. (NL) 2004-10-27 EP disclosed
WO-2003059931-A1 PROCESS FOR THE PREPARATION OF 7α-METHYLSTEROIDS AKZO NOBEL N.V. (NL) 2003-07-24 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 (2 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-20050090476-A1 Process for the preparation of 7alpha-methylsteroids CYP17A1, CYP21A2, HSD17B7 AR 171/4885PGR 230/4885NR3C2 14/4885
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids CYP17A1, CYP21A2, HSD17B7 AR 171/4885PGR 229/4885NR3C2 15/4885

“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.