SCHEMBL497582

SCHEMBL497582

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.35
GPBAR1 Q8TDU6 10/20 0.35
NR3C1 P04150 1/20 0.34
CYP19A1 P11511 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
SLC10A1 Q14973 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
AR P10275 3/20 0.31

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
SCHEMBL6804965 1.00 SHBG (0.35) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL4438158 1.00 SHBG (0.35) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL6000815 0.86 SHBG (0.47) SHBGGPBAR1CYP19A1ESR1ESR2
SCHEMBL6446959 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL6434159 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL497888 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL497753 0.81 GPBAR1 (0.34) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL5524700 0.81 GPBAR1 (0.34) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL497527 0.81 G6PD (0.46) SHBGGPBAR1NR3C1CYP19A1SLC10A1
SCHEMBL5488565 0.81 G6PD (0.46) SHBGGPBAR1NR3C1CYP19A1SLC10A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 US disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 US disclosed
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS FRINCKE JAMES M 2011-09-08 US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 US disclosed
US-20110009372-A1 Compounds and compositions BIOVIE INC. 2011-01-13 US disclosed
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 BIOVIE INC. 2010-09-02 US disclosed
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 BIOVIE INC. 2010-09-02 US disclosed
US-20040220114-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-11-04 US disclosed
US-20040116359-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-06-17 US disclosed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 EP disclosed
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 US disclosed
US-20040043973-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-03-04 US disclosed
EP-1372664-A1 USE OF CERTAIN STEROIDS FOR TREATMENT OF BLOOD CELL DEFICIENCIES Hollis-Eden Pharmaceuticals Inc. (US) 2004-01-02 EP disclosed
US-6667299-B1 16-alpha-bromo-3-beta-hydroxy-5-alpha-androstan-17-one hemihydrate; 16-alpha-bromoepiandrosterone; steroid; immune modulator HOLLIS-EDEN PHARMACEUTICALS, INC. 2003-12-23 US disclosed
US-20030083231-A1 Blood cell deficiency treatment method BIOVIE INC. 2003-05-01 US disclosed
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 US disclosed
WO-2002069977-A1 USE OF CERTAIN STEROIDS FOR TREATMENT OF BLOOD CELL DEFICIENCIES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2002-09-12 WO 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 (11 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-20110009372-A1 Compounds and compositions HSD3B1, CYP17A1, HSD17B1 SHBG 49/4885GPBAR1 160/4885NR3C1 20/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 SHBG 45/4885GPBAR1 205/4885NR3C1 15/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL SHBG 26/4885GPBAR1 331/4885NR3C1 43/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 SHBG 54/4885GPBAR1 386/4885NR3C1 31/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 SHBG 44/4885GPBAR1 313/4885NR3C1 22/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 SHBG 47/4885GPBAR1 199/4885NR3C1 18/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 SHBG 57/4885GPBAR1 379/4885NR3C1 23/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 SHBG 73/4885GPBAR1 360/4885NR3C1 10/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 SHBG 105/4885GPBAR1 246/4885NR3C1 17/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 SHBG 73/4885GPBAR1 360/4885NR3C1 10/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 SHBG 47/4885GPBAR1 199/4885NR3C1 18/4885

“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.