SCHEMBL6707070

SCHEMBL6707070

C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1CC[C@]2(O)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ NR3C1 P04150 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ CYP19A1 P11511 7/20 0.47
▸ AR P10275 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL6707066 1.00 PGR (0.57) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10883783 0.91 PGR (0.70) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10945748 0.91 PGR (0.70) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10883779 0.91 PGR (0.70) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL7793508 0.88 PGR (0.50) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL10946077 0.82 CYP19A1 (0.44) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL3737458 0.82 CYP19A1 (0.44) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL10886101 0.82 CYP19A1 (0.44) PGRTDP1NR3C1LMNAPDE4D
Canrenoate SCHEMBL18775372 0.82 PGR (0.81) PGRTDP1NR3C1LMNAPDE4D
Canrenoate SCHEMBL636758 0.82 PGR (0.81) PGRTDP1NR3C1LMNAPDE4D

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 9 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-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US claimed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — 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
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US disclosed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — EP 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 PGR 1300/4885TDP1 2581/4885NR3C1 40/4885

“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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