SCHEMBL3356958

SCHEMBL3356958

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.54
ALDH1A1 P00352 5/20 0.54
NR3C1 P04150 4/20 0.54
PGR P06401 3/20 0.54
ADRA1A P35348 2/20 0.54
HTR2B P41595 2/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
LMNA P02545 7/20 0.53
SERPINA6 P08185 5/20 0.53
CYP2C19 P33261 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BLM P54132 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
MAPK3 P27361 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP3A4 P08684 5/20 0.53
TSHR P16473 5/20 0.53
HSD17B10 Q99714 5/20 0.53

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
SCHEMBL3357635 0.92 PSEN1 (0.52) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3387445 0.90 SHBG (0.46) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3243257 0.87 SHBG (0.54) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL11507966 0.84 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL9128195 0.83 SHBG (0.64) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL11684616 0.81 HSD17B10 (0.66) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL10889412 0.80 AR (0.51) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3746536 0.78 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3744648 0.78 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3746805 0.77 CYP19A1 (0.52) SHBGALDH1A1NR3C1PGRADRA1A

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-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-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 SHBG 57/4885ALDH1A1 616/4885NR3C1 121/4885

“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.