SCHEMBL12355430

SCHEMBL12355430

C[C@@H]1CC2=CC(=O)CCC2C2C1C1CCC(O)[C@@]1(C)C[C@@H]2C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.69
▸ SHBG P04278 7/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ SERPINA6 P08185 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ NR3C1 P04150 5/20 0.43
▸ PGR P06401 4/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL7112542 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL6012294 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL6012356 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL24103283 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL12364347 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL24102490 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL24102641 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL24103277 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL2246608 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6
SCHEMBL30339913 1.00 AR (0.69) ARSHBGSLC22A1ALDH1A1SERPINA6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 — — US disclosed
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN 2011-08-11 — — US disclosed
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN 2011-08-11 — — US disclosed
US-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2009-01-22 — — US disclosed
US-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2009-01-22 — — US disclosed
US-7196074-B2 Methods of making, using and pharmaceutical formulations comprising 7α, 11β-dimethyl-17β-hydroxyestra-4, 14-dien-3-one and 17 esters thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-27 — — US disclosed
US-7196074-B2 Methods of making, using and pharmaceutical formulations comprising 7α, 11β-dimethyl-17β-hydroxyestra-4, 14-dien-3-one and 17 esters thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-27 — — 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 (3 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-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 AR 518/4885SHBG 5/4885SLC22A1 2460/4885
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 AR 518/4885SHBG 5/4885SLC22A1 2460/4885
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, CYP19A1 AR 274/4885SHBG 4/4885SLC22A1 2863/4885

“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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