SCHEMBL497634

SCHEMBL497634

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.61
CYP19A1 P11511 12/20 0.48
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
OR51E2 Q9H255 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.41
SHBG P04278 2/20 0.41
SERPINA6 P08185 2/20 0.41
CYP3A4 P08684 2/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL497527 0.82 G6PD (0.46) G6PDCYP19A1GPBAR1SHBGNR3C1
SCHEMBL5488565 0.82 G6PD (0.46) G6PDCYP19A1GPBAR1SHBGNR3C1
SCHEMBL11518397 0.81 CYP19A1 (0.64) G6PDCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL4585718 0.81 CYP19A1 (0.64) G6PDCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL6254375 0.81 CYP19A1 (0.64) G6PDCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL10301245 0.80 CYP19A1 (0.65) G6PDCYP19A1GPBAR1SHBGSERPINA6
SCHEMBL497888 0.79 GPBAR1 (0.43) G6PDCYP19A1GPBAR1SHBGSERPINA6
SCHEMBL6446959 0.79 GPBAR1 (0.43) G6PDCYP19A1GPBAR1SHBGSERPINA6
SCHEMBL6434159 0.79 GPBAR1 (0.43) G6PDCYP19A1GPBAR1SHBGSERPINA6
SCHEMBL11516238 0.78 GPBAR1 (0.59) CYP19A1GPBAR1SHBGSERPINA6CYP3A4

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 38 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
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
EP-1163256-A1 HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE Hollis-Eden Pharmaceuticals Inc. (US) 2001-12-19 EP disclosed
WO-2000056757-A1 IMMUNOMODULATORY STEROIDS, IN PARTICULAR THE HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-09-28 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 (10 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 G6PD 646/4885CYP19A1 28/4885AKR1B10 192/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 G6PD 769/4885CYP19A1 32/4885AKR1B10 211/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL G6PD 13/4885CYP19A1 21/4885AKR1B10 920/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 G6PD 71/4885CYP19A1 13/4885AKR1B10 1145/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 G6PD 526/4885CYP19A1 37/4885AKR1B10 284/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 G6PD 559/4885CYP19A1 33/4885AKR1B10 264/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 G6PD 105/4885CYP19A1 13/4885AKR1B10 696/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 G6PD 1176/4885CYP19A1 27/4885AKR1B10 571/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 G6PD 105/4885CYP19A1 13/4885AKR1B10 696/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 G6PD 476/4885CYP19A1 30/4885AKR1B10 193/4885

“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.