SCHEMBL497753

SCHEMBL497753

C[C@]12CC[C@H]3[C@@H]([C@@H](O)C[C@H]4CC(O)=CC[C@@]43C)[C@@H]1C[C@@H](Br)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.34
NR1H4 Q96RI1 5/20 0.32
SLC10A2 Q12908 3/20 0.32
SLC10A1 Q14973 2/20 0.32
SHBG P04278 1/20 0.32
NR3C1 P04150 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ABCB11 O95342 2/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ENPP2 Q13822 1/20 0.30
CISD1 Q9NZ45 1/20 0.30

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
SCHEMBL5524700 1.00 GPBAR1 (0.34) GPBAR1NR1H4SLC10A2SLC10A1SHBG
SCHEMBL6000815 0.82 SHBG (0.47) GPBAR1SHBGCYP19A1LMNACYP2C19
SCHEMBL4438158 0.81 SHBG (0.35) GPBAR1NR1H4SLC10A1SHBGNR3C1
SCHEMBL6804965 0.81 SHBG (0.35) GPBAR1NR1H4SLC10A1SHBGNR3C1
SCHEMBL497582 0.81 SHBG (0.35) GPBAR1NR1H4SLC10A1SHBGNR3C1
SCHEMBL497527 0.79 G6PD (0.46) GPBAR1SLC10A1SHBGNR3C1CYP19A1
SCHEMBL5488565 0.79 G6PD (0.46) GPBAR1SLC10A1SHBGNR3C1CYP19A1
SCHEMBL9172177 0.77 ABL1 (0.47) GPBAR1SHBGCYP19A1MEN1KMT2A
SCHEMBL497370 0.76 GPBAR1 (0.54) GPBAR1NR1H4SLC10A2SLC10A1SHBG
SCHEMBL497368 0.76 GPBAR1 (0.54) GPBAR1NR1H4SLC10A2SLC10A1SHBG

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 GPBAR1 160/4885NR1H4 76/4885SLC10A2 538/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 GPBAR1 205/4885NR1H4 99/4885SLC10A2 870/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL GPBAR1 331/4885NR1H4 415/4885SLC10A2 2439/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 GPBAR1 386/4885NR1H4 320/4885SLC10A2 1991/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 GPBAR1 313/4885NR1H4 41/4885SLC10A2 782/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 GPBAR1 379/4885NR1H4 56/4885SLC10A2 797/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885NR1H4 395/4885SLC10A2 3002/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 GPBAR1 246/4885NR1H4 112/4885SLC10A2 664/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885NR1H4 395/4885SLC10A2 3002/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885NR1H4 66/4885SLC10A2 636/4885

“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.