SCHEMBL498081

SCHEMBL498081

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.66
RIN1 Q13671 1/20 0.66
HSD17B3 P37058 10/20 0.48
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
CYP19A1 P11511 2/20 0.45
OR51E2 Q9H255 1/20 0.45
GPBAR1 Q8TDU6 4/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
SHBG P04278 2/20 0.43
SERPINA6 P08185 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
PMP22 Q01453 1/20 0.43
G6PD P11413 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL1115566 0.80 ABL1 (0.67) ABL1RIN1AKR1B10AKR1B1CYP19A1
SCHEMBL5925349 0.80 ABL1 (0.67) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL4342681 0.80 ABL1 (0.67) ABL1RIN1AKR1B10AKR1B1CYP19A1
SCHEMBL5925371 0.80 ABL1 (0.67) ABL1RIN1AKR1B10AKR1B1CYP19A1
SCHEMBL3362291 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL4339194 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL12057060 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL2509858 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL7062423 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1
SCHEMBL2509859 0.80 ABL1 (1.00) ABL1RIN1HSD17B3AKR1B10AKR1B1

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 35 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 ABL1 3299/4885RIN1 2266/4885HSD17B3 5/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 ABL1 4090/4885RIN1 1235/4885HSD17B3 5/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL ABL1 884/4885RIN1 4679/4885HSD17B3 25/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 ABL1 403/4885RIN1 4830/4885HSD17B3 60/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 ABL1 2656/4885RIN1 2348/4885HSD17B3 7/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 ABL1 2301/4885RIN1 2181/4885HSD17B3 3/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 ABL1 2834/4885RIN1 2219/4885HSD17B3 4/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 ABL1 391/4885RIN1 4788/4885HSD17B3 50/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 ABL1 2481/4885RIN1 1539/4885HSD17B3 16/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 ABL1 391/4885RIN1 4788/4885HSD17B3 50/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 ABL1 2301/4885RIN1 2181/4885HSD17B3 3/4885

“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.