SCHEMBL2545773

SCHEMBL2545773

C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.79
CYP3A4 P08684 4/20 0.67
TSHR P16473 3/20 0.67
THPO P40225 1/20 0.67
HIF1A Q16665 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP19A1 P11511 10/20 0.60
LMNA P02545 3/20 0.60
HSD17B10 Q99714 3/20 0.60
AR P10275 3/20 0.60
NR3C1 P04150 2/20 0.60
PGR P06401 2/20 0.60
SERPINA6 P08185 2/20 0.60
SNCA P37840 2/20 0.60
CACNA1C Q13936 2/20 0.60
CYP51A1 Q16850 2/20 0.60
GPBAR1 Q8TDU6 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL21850133 1.00 SHBG (0.79) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL1682762 1.00 SHBG (0.79) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL22100655 1.00 SHBG (0.79) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL2733387 0.88 SHBG (1.00) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL9172697 0.88 SHBG (1.00) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL10274070 0.88 SHBG (1.00) SHBGCYP3A4TSHRTHPOHIF1A
Clostebol SCHEMBL4437252 0.87 SHBG (0.76) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL10944734 0.87 SHBG (0.76) SHBGCYP3A4TSHRTHPOHIF1A
Clostebol SCHEMBL146712 0.87 SHBG (0.76) SHBGCYP3A4TSHRTHPOHIF1A
SCHEMBL28944454 0.87 SHBG (0.76) SHBGCYP3A4TSHRTHPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206010-A C-19 steroids to inhibit neovascularization 库拉迪斯有限公司 2017-09-26 CN claimed
US-9610292-B2 Uses for 4,17β-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2017-04-04 US claimed
EP-2060261-B1 C-19 steroids for cosmetic uses ATHENION AG (CH) 2016-03-09 EP claimed
US-20160030448-A1 Uses for 4, 17ß-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2016-02-04 US claimed
CN-101854979-B The C-19 steroid of being used for the treatment of property application PROCIMA GMBH (DE) 2015-11-25 CN claimed
US-9138477-B2 Uses for 4,17β-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2015-09-22 US claimed
US-9114163-B2 Medication against breast cancer and related diseases MABEL GMBH (DE) 2015-08-25 US claimed
EP-2018170-B1 Medication against breast cancer MABEL GMBH (DE) 2012-07-25 EP claimed
EP-2018169-B1 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS MABEL GMBH (DE) 2010-11-10 EP claimed
US-20100061975-A1 Uses for 4,17B-dihydroxyandrost-4-ene-3-one CURADIS GMBH (DE) 2010-03-11 US claimed
US-20090111784-A1 MEDICATION AGAINST BREAST CANCER AND RELATED DISEASES CURADIS GMBH (DE) 2009-04-30 US claimed
EP-2018169-A2 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS Teichmann, Alexander Tobias (DE) 2009-01-28 EP claimed
WO-2007131736-A2 USE OF 4, 17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS TEICHMANN ALEXANDER TOBIAS (DE) 2007-11-22 WO claimed
EP-1854465-A1 Use of 4,17 beta-dihydroxyandrost-4-ene-3-one for treating cancers Teichmann, Alexander Tobias (DE) 2007-11-14 EP claimed
US-20030199487-A1 Ester and ether derivatives of 4-hydroxytestosterone and a method for the regulation of athletic function in humans Paternoster, Mr. Vince 2003-10-23 US claimed
US-20210346385-A1 TASTE-MASKED DOSAGE FORMS DEEP OCEAN CAPITAL MANAGEMENT LP 2021-11-11 US disclosed
EP-3172566-B1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LTD (GB) 2019-10-16 EP disclosed
EP-1854465-A1 Use of 4,17 beta-dihydroxyandrost-4-ene-3-one for treating cancers Teichmann, Alexander Tobias (DE) 2007-11-14 EP disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
US-20030199487-A1 Ester and ether derivatives of 4-hydroxytestosterone and a method for the regulation of athletic function in humans Paternoster, Mr. Vince 2003-10-23 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-20090111784-A1 MEDICATION AGAINST BREAST CANCER AND RELATED DISEASES CYP19A1, SHBG, ESRRB SHBG 2/4885CYP3A4 277/4885TSHR 373/4885

“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.