SCHEMBL3354656

SCHEMBL3354656

C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@](O)(CCC(=O)O)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.58
▸ NR3C1 P04150 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ CYP19A1 P11511 6/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ AR P10275 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ SHBG P04278 1/20 0.39

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
SCHEMBL3359670 1.00 PGR (0.58) PGRNR3C1LMNATDP1PDE4D
Potassium Ion SCHEMBL10790433 0.91 PGR (0.71) PGRNR3C1LMNATDP1PDE4D
Potassium Ion SCHEMBL10790429 0.91 PGR (0.71) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11506730 0.88 PGR (0.54) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11507445 0.88 PGR (0.54) PGRNR3C1LMNATDP1PDE4D
SCHEMBL3243156 0.87 PGR (0.53) PGRNR3C1LMNATDP1PDE4D
SCHEMBL5200871 0.87 PGR (0.53) PGRNR3C1LMNATDP1PDE4D
SCHEMBL13830641 0.87 PGR (0.53) PGRNR3C1LMNATDP1PDE4D
Potassium Ion SCHEMBL10794962 0.84 PGR (0.71) PGRNR3C1LMNATDP1PDE4D
Potassium Ion SCHEMBL10790659 0.84 PGR (0.71) PGRNR3C1LMNATDP1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450476-B2 Making drospirenone; chemical intermediates e.g. carbethoxy-drospirenone; industrial scale, safe (no chromium catalyst), meets purity requirements RICHTER GEDEON NYRT. (HU) 2013-05-28 — — US claimed
EP-1831239-B1 A PROCESS FOR THE PREPARATION OF 17-HYDROXY-6 BETA, 7 BETA, 15 BETA, 16 BETA -BISMETHYLENE-17 ALPHA-PREGN-4-ENE-3-ONE-21-CARBOXYLIC ACID LAMBDA-LACTONE AND KEY-INTERMEDIATES FOR THIS PROCESS RICHTER GEDEON NYRT (HU) 2010-03-24 — — EP claimed
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-14 — — US claimed
US-8450476-B2 Making drospirenone; chemical intermediates e.g. carbethoxy-drospirenone; industrial scale, safe (no chromium catalyst), meets purity requirements RICHTER GEDEON NYRT. (HU) 2013-05-28 — — US disclosed
EP-1831239-B1 A PROCESS FOR THE PREPARATION OF 17-HYDROXY-6 BETA, 7 BETA, 15 BETA, 16 BETA -BISMETHYLENE-17 ALPHA-PREGN-4-ENE-3-ONE-21-CARBOXYLIC ACID LAMBDA-LACTONE AND KEY-INTERMEDIATES FOR THIS PROCESS RICHTER GEDEON NYRT (HU) 2010-03-24 — — EP disclosed
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-14 — — 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 (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-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process CYP17A1, HSD17B7, HSD17B11 PGR 132/4885NR3C1 121/4885LMNA 1403/4885

“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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