SCHEMBL497370

SCHEMBL497370

C[C@]12CC[C@@H]3[C@@H](C(O)CC4CC(O)CC[C@@]43C)[C@@H]1CC(Br)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.54
NR1H4 Q96RI1 6/20 0.54
NR3C1 P04150 1/20 0.52
SHBG P04278 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ABCB11 O95342 2/20 0.50
SLC10A2 Q12908 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ENPP2 Q13822 1/20 0.50
SLC10A1 Q14973 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL497368 1.00 GPBAR1 (0.54) GPBAR1NR1H4NR3C1SHBGMEN1
SCHEMBL7861033 0.81 NR3C1 (0.63) GPBAR1NR1H4NR3C1SHBGMEN1
SCHEMBL1143644 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL4327037 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL4304678 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL23866991 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL7177280 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL1419267 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL1143645 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA
SCHEMBL3362972 0.80 SHBG (0.76) GPBAR1NR1H4NR3C1SHBGLMNA

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
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
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 (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 GPBAR1 160/4885NR1H4 76/4885NR3C1 20/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 GPBAR1 205/4885NR1H4 99/4885NR3C1 15/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL GPBAR1 331/4885NR1H4 415/4885NR3C1 43/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 GPBAR1 386/4885NR1H4 320/4885NR3C1 31/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 GPBAR1 313/4885NR1H4 41/4885NR3C1 22/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885NR1H4 66/4885NR3C1 18/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 GPBAR1 379/4885NR1H4 56/4885NR3C1 23/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885NR1H4 395/4885NR3C1 10/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 GPBAR1 246/4885NR1H4 112/4885NR3C1 17/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885NR1H4 395/4885NR3C1 10/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885NR1H4 66/4885NR3C1 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.