SCHEMBL867596

SCHEMBL867596

C[C@]12C=CC(=O)CC1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.61
CYP19A1 P11511 4/20 0.58
SHBG P04278 3/20 0.58
GPBAR1 Q8TDU6 3/20 0.58
SERPINA6 P08185 2/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
NR3C2 P08235 1/20 0.58
MGAM O43451 1/20 0.58
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 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
SCHEMBL2545024 1.00 AR (0.61) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL7193192 1.00 AR (0.61) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL2281371 1.00 AR (0.61) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL867595 1.00 AR (0.61) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL15259496 1.00 AR (0.61) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL8898529 0.86 AR (0.45) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL21807712 0.86 AR (0.45) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL23378235 0.84 AR (0.44) ARCYP19A1SHBGGPBAR1SERPINA6
SCHEMBL2510574 0.84 AKR1B10 (0.61) ARSHBGGPBAR1SERPINA6CYP3A4
SCHEMBL6839045 0.84 AKR1B10 (0.49) GPBAR1CYP3A4LMNACYP2C9CYP2C19

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US claimed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 US claimed
US-20020183532-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2002-12-05 US claimed
US-6391868-B2 Use of 5-alpha-androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17-beta-hydroxy-5-alpha-androst-1-en-3-one in humans LPT RESEARCH, INC. 2002-05-21 US claimed
US-20010056087-A1 Use of 5alpha-androst-1en-3,17-diol to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-12-27 US claimed
US-20010041698-A1 Use of 5alpha -androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-11-15 US claimed
US-20210199646-A1 SAMPLE DEPLETION AND ENRICHMENT TO IMPROVE THE QUALITY OF DIAGNOSTIC TEST RESULTS VERAVAS, INC. 2021-07-01 US disclosed
US-10948484-B2 Sample depletion and enrichment to improve the quality of diagnostic test results VERAVAS, INC. (US) 2021-03-16 US disclosed
EP-3172566-B1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LTD (GB) 2019-10-16 EP 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-10265328-B2 C-19 steroids for specific therapeutic uses PROCIMA GMBH (DE) 2019-04-23 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
US-20010041698-A1 Use of 5alpha -androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-11-15 US disclosed
US-20010041698-A1 Use of 5alpha -androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-11-15 US disclosed
US-20010041698-A1 Use of 5alpha -androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-11-15 US disclosed
EP-0700291-A4 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1996-07-03 EP disclosed
EP-0700291-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO. INC. (US) 1996-03-13 EP disclosed
EP-0423842-A2 Steroids and therapeutic compositions containing same Research Corporation (US) 1991-04-24 EP disclosed
US-3990956-A Electrochemical reduction of α,β-unsaturated keto steroids SCHERING AKTIENGESELLSCHAFT (DT) 1976-11-09 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 (2 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-10265328-B2 C-19 steroids for specific therapeutic uses AR, CYP17A1, SHBG AR 1/4885CYP19A1 14/4885SHBG 3/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 AR 6/4885CYP19A1 3/4885SHBG 1/4885

“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.