SCHEMBL3357635

SCHEMBL3357635

C=C1C(=C)[C@@](O)(CC(C(=O)O)C(=O)OCC)[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
SHBG P04278 5/20 0.48
NR3C1 P04150 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PGR P06401 3/20 0.48
ADRA1A P35348 2/20 0.48
HTR2B P41595 2/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CYP3A4 P08684 5/20 0.48
SERPINA6 P08185 4/20 0.48
CYP2C19 P33261 4/20 0.48
TSHR P16473 4/20 0.48
HIF1A Q16665 4/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL3356958 0.92 SHBG (0.54) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3387445 0.91 SHBG (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3243257 0.82 SHBG (0.54) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3356364 0.80 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10889412 0.80 AR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11507966 0.79 SHBG (0.55) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL4887827 0.78 LMNA (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9128195 0.78 SHBG (0.64) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL11684616 0.76 HSD17B10 (0.66) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3746805 0.74 CYP19A1 (0.52) SHBGNR3C1ALDH1A1PGRADRA1A

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-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 PSEN1 2435/4885PSEN2 2891/4885APH1B 464/4885

“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.