SCHEMBL6024545

SCHEMBL6024545

CC1(C)CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](O)CC[C@@H]34)[C@H]21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 4/20 0.67
▸ SHBG P04278 4/20 0.67
▸ SLC22A1 O15245 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ ESR2 Q92731 3/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ PDK1 Q15118 2/20 0.52
▸ PDK2 Q15119 2/20 0.52
▸ PDK3 Q15120 2/20 0.52
▸ PDK4 Q16654 2/20 0.52
▸ CYP19A1 P11511 7/20 0.51
▸ AR P10275 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ PGR P06401 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SNCA P37840 2/20 0.51

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
SCHEMBL31304050 1.00 SERPINA6 (0.67) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL3453459 1.00 SERPINA6 (0.67) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL13372794 0.82 SERPINA6 (0.48) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL17831191 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL22739132 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL11977556 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL5017882 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL12101449 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL11736454 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB
Nandrolone SCHEMBL11872554 0.80 ALDH1A1 (1.00) SERPINA6SHBGSLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244059-A1 METHODS OF TREATING CANCER USING DUAL ANDROGEN RECEPTOR AND PDE5 INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-12-21 — — WO disclosed
EP-4259634-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR Ildong Pharmaceutical Co., Ltd. (KR) 2023-10-18 — — EP disclosed
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-10-17 — — US disclosed
US-20220194948-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR ILDONG PHARACEUTICAL CO., LTD. (KR) 2022-06-23 — — US disclosed
WO-2022123310-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-06-16 — — WO disclosed
US-10948484-B2 Sample depletion and enrichment to improve the quality of diagnostic test results VERAVAS, INC. (US) 2021-03-16 — — US disclosed
US-20190137484-A9 Sample depletion and enrichment to improve the quality of diagnostic test results VERAVAS, INC. (US) 2019-05-09 — — US disclosed
US-20180292394-A1 Sample depletion and enrichment to improve the quality of diagnostic test results SOLDO JOSHUA CAINE (US) 2018-10-11 — — US disclosed
EP-1578719-A4 STEREOISOMERS OF P-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF COLLEGIUM PHARMACEUTICAL INC (US) 2006-07-05 — — EP disclosed
US-7038085-B2 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof COLLEGIUM PHARMACEUTICAL, INC. (US) 2006-05-02 — — US disclosed
EP-1578719-A2 STEREOISOMERS OF P-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF Collegium Pharmaceutical, Inc. (US) 2005-09-28 — — EP disclosed
US-20040142904-A1 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof COLLEGIUM PHARMACEUTICAL INC. 2004-07-22 — — US disclosed
WO-2004039320-A2 STEREOISOMERS OF p-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF COLLEGIUM PHARMACEUTICAL, INC. (US) 2004-05-13 — — WO disclosed
WO-2001021009-A2 STANDARDIZED FUNCTIONAL FOOD PRODUCTS CURRIER STEPHEN J (US) 2001-03-29 — — WO disclosed
US-6074625-A USING COMPLEX OF BORON ISOTOPE NEUTRON THERAPIES INC. (US) 2000-06-13 — — US disclosed
EP-0729363-A4 BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS IONIX CORP (US) 1998-08-19 — — EP disclosed
EP-0729363-A1 BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS IONIX CORPORATION (US) 1996-09-04 — — EP disclosed
WO-1996000090-A1 BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS IONIX CORPORATION (US) 1996-01-04 — — WO disclosed
US-5096694-A Chloromethyl- and radioactive iodine substituted hydroxygonane derivatives IRE-CELLTARG S.A. (BE) 1992-03-17 — — 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-20040142904-A1 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof SLC6A2, SLC6A4, OPRL1 SERPINA6 2265/4885SHBG 1689/4885SLC22A1 332/4885
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors PDE5A, AR, PDE3A SERPINA6 2676/4885SHBG 26/4885SLC22A1 4489/4885
US-20220194948-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR AR, PDE5A, PDE1A SERPINA6 2029/4885SHBG 18/4885SLC22A1 4659/4885

“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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