SCHEMBL6707126

SCHEMBL6707126

C=C1C(=C)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)CCC(=O)O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ PGR P06401 4/20 0.50
▸ NR3C1 P04150 4/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ AR P10275 3/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ SHBG P04278 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SERPINA6 P08185 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11645080 0.88 LMNA (0.46) LMNATDP1PGRNR3C1PDE4D
SCHEMBL5978543 0.87 PGR (0.44) LMNATDP1PGRNR3C1PDE4D
SCHEMBL10945226 0.83 TDP1 (0.40) LMNATDP1PGRNR3C1PDE4D
SCHEMBL11596318 0.82 TDP1 (0.49) LMNATDP1PGRNR3C1PDE4D
SCHEMBL11596323 0.82 TDP1 (0.49) LMNATDP1PGRNR3C1PDE4D
SCHEMBL10959975 0.79 PGR (0.65) LMNATDP1PGRNR3C1PDE4D
SCHEMBL10959989 0.79 PGR (0.65) LMNATDP1PGRNR3C1PDE4D
SCHEMBL11594864 0.78 CYP19A1 (0.61) LMNATDP1PGRNR3C1PDE4D
SCHEMBL11594860 0.78 CYP19A1 (0.61) LMNATDP1PGRNR3C1PDE4D
SCHEMBL3507486 0.77 SHBG (0.67) LMNAPGRNR3C1PDE4DMEN1

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 LMNA 3096/4885TDP1 2581/4885PGR 1300/4885

“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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