SCHEMBL497888

SCHEMBL497888

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.43
SHBG P04278 3/20 0.43
SERPINA6 P08185 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
CYP19A1 P11511 1/20 0.43
MGAM O43451 1/20 0.43
SRD5A2 P31213 1/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41

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
SCHEMBL6434159 1.00 GPBAR1 (0.43) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6446959 1.00 GPBAR1 (0.43) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL3842363 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL11516238 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6577636 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6804965 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL4438158 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL497582 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL497634 0.79 G6PD (0.61) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL5530806 0.77 GPBAR1 (0.69) GPBAR1SHBGSERPINA6CYP3A4HSD17B10

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 34 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-20050075321-A1 Neurological disorder treatment methods BIOVIE INC. 2005-04-07 US disclosed
US-20040220114-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-11-04 US disclosed
US-20040220161-A1 Pharmaceutical compositions and treatment methods-6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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 160/4885SHBG 49/4885SERPINA6 119/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 GPBAR1 205/4885SHBG 45/4885SERPINA6 90/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL GPBAR1 331/4885SHBG 26/4885SERPINA6 362/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 GPBAR1 386/4885SHBG 54/4885SERPINA6 534/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 GPBAR1 313/4885SHBG 44/4885SERPINA6 76/4885
US-20040220161-A1 Pharmaceutical compositions and treatment methods-6 HSD17B7, HSD3B1, NR5A1 GPBAR1 202/4885SHBG 41/4885SERPINA6 33/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885SHBG 47/4885SERPINA6 87/4885
US-20050075321-A1 Neurological disorder treatment methods HSD17B1, HSD17B3, HSD3B1 GPBAR1 649/4885SHBG 157/4885SERPINA6 78/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 GPBAR1 379/4885SHBG 57/4885SERPINA6 96/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885SHBG 73/4885SERPINA6 590/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 GPBAR1 246/4885SHBG 105/4885SERPINA6 547/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 GPBAR1 360/4885SHBG 73/4885SERPINA6 590/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 GPBAR1 199/4885SHBG 47/4885SERPINA6 87/4885

“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.