SCHEMBL497468

SCHEMBL497468

C[C@]12CCC(O)CC1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)C(Br)C[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.69
LMNA P02545 4/20 0.69
SHBG P04278 3/20 0.69
SERPINA6 P08185 3/20 0.69
CYP3A4 P08684 3/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 1/20 0.69
G6PD P11413 2/20 0.64
NR1I3 Q14994 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B3 P37058 1/20 0.60
PMP22 Q01453 1/20 0.60
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 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
SCHEMBL6058843 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL6450892 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL5530806 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL1418742 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL1418992 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL497467 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL5489583 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL1418725 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL6441377 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL4944130 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063749-A1 Pharmaceutical compositions and treatment methods - 5 BIOVIE INC. 2006-03-23 US claimed
US-20150353596-A1 17-Substituted Steroid Compounds HOLLIS-EDEN PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9115168-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-3 NEURMEDIX, INC. (US) 2015-08-25 US disclosed
US-9102702-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-2 NEURMEDIX INC. (US) 2015-08-11 US disclosed
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 Harbor Therapeutics, Inc. (US) 2014-01-16 US disclosed
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 Harbor Therapeutics, Inc. (US) 2014-01-16 US disclosed
US-8569275-B2 Steroids having 7-oxgen and 17-heteroaryl substitution Harbor Therapeutics, Inc. (US) 2013-10-29 US disclosed
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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 US disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO 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-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 GPBAR1 205/4885LMNA 4739/4885SHBG 45/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL GPBAR1 331/4885LMNA 4196/4885SHBG 26/4885
US-20150353596-A1 17-Substituted Steroid Compounds HSD3B1, HSD3B2, HSD17B13 GPBAR1 216/4885LMNA 3127/4885SHBG 55/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 GPBAR1 313/4885LMNA 4707/4885SHBG 44/4885
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 HSD3B1, HSD3B2, HSD17B13 GPBAR1 295/4885LMNA 3602/4885SHBG 104/4885
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 HSD3B1, HSD3B2, HSD17B13 GPBAR1 289/4885LMNA 3560/4885SHBG 102/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885LMNA 3783/4885SHBG 73/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 GPBAR1 246/4885LMNA 4455/4885SHBG 105/4885
US-20060063749-A1 Pharmaceutical compositions and treatment methods - 5 IL5, HSD3B1, NR5A1 GPBAR1 186/4885LMNA 3826/4885SHBG 39/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885LMNA 4380/4885SHBG 47/4885

“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.