SCHEMBL2832958

SCHEMBL2832958

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 6/20 0.59
▸ SERPINA6 P08185 3/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ AR P10275 9/20 0.56
▸ PGR P06401 5/20 0.55
▸ NR3C2 P08235 2/20 0.55
▸ CYP19A1 P11511 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ NR3C1 P04150 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SNCA P37840 2/20 0.47
▸ CACNA1C Q13936 2/20 0.47
▸ CYP51A1 Q16850 2/20 0.47
▸ GPBAR1 Q8TDU6 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL30140884 1.00 SHBG (0.59) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7703808 1.00 SHBG (0.59) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL12638972 0.87 AR (0.56) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL13474816 0.86 AR (0.55) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL23383533 0.85 SERPINA6 (0.61) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1650166 0.85 SERPINA6 (0.61) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL29335237 0.84 AR (0.53) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL29335494 0.83 AR (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL2833823 0.83 AR (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4212652 0.83 AR (0.55) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257895-A1 INTERMEDIATE FOR PREPARING FULVESTRANT AND PREPARATION METHOD THEREFOR 上海弼领生物技术有限公司 2022-12-15 — — WO disclosed
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
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
WO-2003059931-A1 PROCESS FOR THE PREPARATION OF 7α-METHYLSTEROIDS AKZO NOBEL N.V. (NL) 2003-07-24 — — WO 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
EP-0280618-B1 19-NOR STEROIDS SUBSTITUTED AT POSITION 7, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-09-30 — — EP disclosed
EP-0280618-A1 19-Nor steroids substituted at position 7, their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1988-08-31 — — EP disclosed
US-4073899-A 7A-METHYL-ESTR-5-ENE-3B,17B-DIOL AND 17-ACYL ESTERS RICHARDSON-MERRELL, INC. (US) 1978-02-14 — — US 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 (3 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 SHBG 60/4885SERPINA6 527/4885SLC22A1 2240/4885
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids CYP17A1, CYP21A2, HSD17B7 SHBG 59/4885SERPINA6 549/4885SLC22A1 2824/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG SHBG 3/4885SERPINA6 466/4885SLC22A1 1350/4885

“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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