SCHEMBL6706306

SCHEMBL6706306

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3[C@@H]4CC[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
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
HSD17B10 Q99714 5/20 0.52
HIF1A Q16665 4/20 0.52
PGR P06401 3/20 0.52
NR3C1 P04150 3/20 0.52
CYP3A4 P08684 2/20 0.52
ABCB11 O95342 1/20 0.52
TNF P01375 1/20 0.52
IL6 P05231 1/20 0.52
SERPINA6 P08185 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
GLUL P15104 1/20 0.52
ADAM17 P78536 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP19A1 P11511 6/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 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
Potassium Ion SCHEMBL10962185 0.90 LMNA (0.56) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL10959603 0.90 LMNA (0.55) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL7795441 0.88 LMNA (0.55) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL11325913 0.87 LMNA (0.59) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL10957587 0.86 LMNA (0.52) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL10960995 0.85 LMNA (0.50) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL3246003 0.81 SHBG (0.57) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL238493 0.79 LMNA (0.60) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL238494 0.79 LMNA (0.60) LMNAMAPTHSD17B10HIF1APGR
SCHEMBL11722908 0.75 LMNA (0.62) LMNAMAPTHSD17B10HIF1APGR

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 4 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

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 LMNA 3096/4885MAPT 948/4885HSD17B10 3187/4885

“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.