SCHEMBL1418669

SCHEMBL1418669

C[C@]12CCC(O)CC1=CC[C@@H]1[C@H]2CC[C@]2(C)C(O)C(O)C[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.70
SERPINA6 P08185 3/20 0.70
ESR1 P03372 1/20 0.70
AR P10275 1/20 0.70
ESR2 Q92731 1/20 0.70
CYP17A1 P05093 10/20 0.66
TBXAS1 P24557 1/20 0.66
SRD5A2 P31213 1/20 0.66
G6PD P11413 3/20 0.64
LMNA P02545 3/20 0.63
MEN1 O00255 1/20 0.63
GUSB P08236 1/20 0.63
CYP3A4 P08684 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
GPBAR1 Q8TDU6 1/20 0.63
TSHR P16473 1/20 0.63

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
SCHEMBL6333841 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL1418667 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934843 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL10301223 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL3363388 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL1419890 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934586 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934837 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
Sulfuric Acid SCHEMBL22717101 0.94 SHBG (0.63) SHBGSERPINA6ESR1ARESR2
Sulfuric Acid SCHEMBL22717128 0.94 SHBG (0.63) SHBGSERPINA6ESR1ARESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075321-A1 Neurological disorder treatment methods BIOVIE INC. 2005-04-07 US claimed
US-20040116359-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-06-17 US claimed
EP-2486924-B1 Drugs and uses NEURMEDIX INC (US) 2018-12-26 EP disclosed
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-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 Harbor Therapeutics, Inc. (US) 2014-01-16 US disclosed
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 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-20130164780-A1 Drug Identification Method BIOVIE INC. 2013-06-27 US disclosed
US-8354396-B2 Identifying compounds that can treat autoimmune conditions; ulcerative colitis, inflammatory bowel disease, Crohn's disease, psoriasis, actinic keratosis, arthritis, multiple sclerosis, optic neuritis Harbor Therapeutics, Inc. (US) 2013-01-15 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20070275938-A1 Therapeutic Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070275937-A1 Therapeutic Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070265236-A1 Asthma Treatment Methods BIOVIE INC. 2007-11-15 US disclosed
US-20070213309-A1 Sepsis Treatment Methods BIOVIE INC. 2007-09-13 US disclosed
US-20070203107-A1 Pharmaceutical compositions HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20050195943-A1 Method of forming subtraction images FUJI PHOTO FILM CO., LTD. 2005-09-08 US disclosed
US-20050101581-A1 Therapeutic treatment methods 2 BIOVIE INC. 2005-05-12 US disclosed
US-20040138187-A1 Therapeutic treatment methods BIOVIE INC. 2004-07-15 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 (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-20070275938-A1 Therapeutic Treatment Methods HSD3B1, HSD3B2, HSD17B1 SHBG 92/4885SERPINA6 208/4885ESR1 220/4885
US-20070275937-A1 Therapeutic Treatment Methods HSD3B1, HSD3B2, HSD17B1 SHBG 92/4885SERPINA6 208/4885ESR1 220/4885
US-20150353596-A1 17-Substituted Steroid Compounds HSD3B1, HSD3B2, HSD17B13 SHBG 55/4885SERPINA6 194/4885ESR1 154/4885
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 HSD3B1, HSD3B2, HSD17B13 SHBG 104/4885SERPINA6 432/4885ESR1 200/4885
US-20050075321-A1 Neurological disorder treatment methods HSD17B1, HSD17B3, HSD3B1 SHBG 157/4885SERPINA6 78/4885ESR1 1820/4885
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 HSD3B1, HSD3B2, HSD17B13 SHBG 102/4885SERPINA6 421/4885ESR1 192/4885
US-20070265236-A1 Asthma Treatment Methods HSD3B1, HSD3B2, HSD17B13 SHBG 178/4885SERPINA6 228/4885ESR1 216/4885
US-20050101581-A1 Therapeutic treatment methods 2 HSD3B2, HSD3B1, HSD17B2 SHBG 100/4885SERPINA6 176/4885ESR1 259/4885
US-20040138187-A1 Therapeutic treatment methods ELANE, ALOX15, IL15 SHBG 93/4885SERPINA6 119/4885ESR1 354/4885
US-20070213309-A1 Sepsis Treatment Methods HSD3B1, ELANE, HSD3B2 SHBG 119/4885SERPINA6 257/4885ESR1 114/4885
US-20070203107-A1 Pharmaceutical compositions HSD3B1, HSD3B2, HSD17B13 SHBG 107/4885SERPINA6 288/4885ESR1 246/4885

“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.