SCHEMBL2833823

SCHEMBL2833823

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.51
▸ PGR P06401 6/20 0.51
▸ NR3C2 P08235 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.41
▸ SERPINA6 P08185 2/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP19A1 P11511 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL29335494 1.00 AR (0.51) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL29335510 0.88 AR (0.49) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL13474752 0.88 AR (0.49) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL4261966 0.86 AR (0.50) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL13216960 0.86 AR (0.48) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL29335775 0.85 AR (0.51) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL30140884 0.83 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL7703808 0.83 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL2832958 0.83 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL12638972 0.82 AR (0.56) ARPGRNR3C2ALDH1A1SERPINA6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470151-B1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS ORGANON NV (NL) 2009-12-30 — — EP claimed
US-20050090476-A1 Process for the preparation of 7alpha-methylsteroids MERCK SHARP & DOHME B.V. (NL) 2005-04-28 — — US claimed
EP-1470151-A1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS Akzo Nobel N.V. (NL) 2004-10-27 — — EP claimed
WO-2003059931-A1 PROCESS FOR THE PREPARATION OF 7α-METHYLSTEROIDS AKZO NOBEL N.V. (NL) 2003-07-24 — — WO claimed
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.

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