SCHEMBL6706329

SCHEMBL6706329

CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]3(O)CCC(=O)O)[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.44
NR3C1 P04150 4/20 0.40
CYP3A4 P08684 5/20 0.40
HIF1A Q16665 4/20 0.40
PGR P06401 4/20 0.40
HSD17B10 Q99714 3/20 0.40
ABCB11 O95342 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCC4 O15439 1/20 0.40
NR1I2 O75469 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
AR P10275 3/20 0.39
NR3C2 P08235 2/20 0.39
CYP2C19 P33261 2/20 0.39
TNF P01375 1/20 0.39
IL6 P05231 1/20 0.39
SERPINA6 P08185 1/20 0.39
GLUL P15104 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
SCHEMBL7793500 0.90 SHBG (0.42) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11111005 0.84 SHBG (0.45) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11129293 0.84 SHBG (0.45) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL6554421 0.84 SHBG (0.50) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11095036 0.83 SHBG (0.44) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11095042 0.83 SHBG (0.44) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11110732 0.83 CYP19A1 (0.44) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL11126765 0.83 CYP19A1 (0.44) SHBGNR3C1CYP3A4HIF1APGR
SCHEMBL6706332 0.79 SHBG (0.44) SHBGNR3C1CYP3A4HIF1APGR
Mespirenone SCHEMBL637071 0.79 PGR (0.48) SHBGNR3C1CYP3A4HIF1APGR

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-20040242552-A1 New use of antimineralocorticoid compounds against narcotic withdrawal syndrome AVENTIS PHARMA S.A. 2004-12-02 US claimed
EP-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed
US-20040242552-A1 New use of antimineralocorticoid compounds against narcotic withdrawal syndrome AVENTIS PHARMA S.A. 2004-12-02 US disclosed
US-6759399-B1 USING SUCH AS GAMMA-LACTONE OF 10-ETHYNYL-17-HYDROXY-3-OXO-19-NOR-17-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID AVENTIS PHARMA S.A. (FR) 2004-07-06 US disclosed
US-6147066-A Use of antimineralocorticoid compounds against drug withdrawal syndrome Roussel, Hoechst Marion (FR) 2000-11-14 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-20040242552-A1 New use of antimineralocorticoid compounds against narcotic withdrawal syndrome OPRM1, PNMT, SLC6A11 SHBG 13/4885NR3C1 40/4885CYP3A4 1702/4885

“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.