SCHEMBL6706332

SCHEMBL6706332

C=C1C(=C)[C@](O)(CCC(=O)O)[C@@]2(C)CC[C@H]3[C@@H](C(SC(C)=O)CC4=CC(=O)C=C[C@@]43C)[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.44
CYP19A1 P11511 7/20 0.38
LMNA P02545 5/20 0.37
MAPT P10636 2/20 0.37
HIF1A Q16665 2/20 0.36
NR3C1 P04150 2/20 0.36
PGR P06401 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL6554421 0.83 SHBG (0.50) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL6706329 0.79 SHBG (0.44) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL11506104 0.75 LMNA (0.55) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL11507827 0.73 AR (0.52) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL11506637 0.71 AR (0.50) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL7793500 0.71 SHBG (0.42) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL11506894 0.71 AR (0.49) SHBGCYP19A1LMNAMAPTHIF1A
SCHEMBL11743506 0.70 SHBG (0.53) SHBGCYP19A1LMNAMAPTNR3C1
SCHEMBL11743496 0.70 SHBG (0.53) SHBGCYP19A1LMNAMAPTNR3C1
SCHEMBL11013929 0.70 SHBG (0.53) SHBGCYP19A1LMNAMAPTHIF1A

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 13/4885CYP19A1 2666/4885LMNA 3096/4885

“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.