SCHEMBL1418928

SCHEMBL1418928

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 3/20 0.77
▸ GPBAR1 Q8TDU6 6/20 0.68
▸ LMNA P02545 6/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ SHBG P04278 3/20 0.68
▸ SERPINA6 P08185 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ PMP22 Q01453 2/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ HSD17B3 P37058 1/20 0.68
▸ AKR1B10 O60218 1/20 0.68
▸ AKR1B1 P15121 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL1418766 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL6874636 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418641 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL6905401 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418980 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL6884657 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1419111 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418644 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1500304 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418792 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 — — EP claimed
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 BIOVIE INC. 2005-07-21 — — US claimed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 — — EP claimed
US-20050101581-A1 Therapeutic treatment methods 2 BIOVIE INC. 2005-05-12 — — US claimed
US-20040220114-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-11-04 — — US claimed
US-20040220161-A1 Pharmaceutical compositions and treatment methods-6 BIOVIE INC. 2004-11-04 — — US claimed
US-20040138187-A1 Therapeutic treatment methods BIOVIE INC. 2004-07-15 — — US claimed
US-20040116359-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-06-17 — — US claimed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 — — EP claimed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 — — WO 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-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 Harbor Therapeutics, Inc. (US) 2014-01-16 — — US disclosed
US-5001119-A 16-substituted androstanes and 16-substituted androstenes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-03-19 — — US disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 — — US disclosed
EP-0033561-B1 NOVEL 17-AMINO-16-HYDROXY STEROIDS OF THE ANDROSTANE AND OESTRANE SERIES AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1983-05-11 — — EP disclosed
US-4330539-A Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof AKZO NV (NL) 1982-05-18 — — US disclosed
EP-0033561-A1 Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof, processes for their preparation and pharmaceutical compositions AKZO N.V. (NL) 1981-08-12 — — EP 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 (7 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-20150353596-A1 17-Substituted Steroid Compounds HSD3B1, HSD3B2, HSD17B13 G6PD 319/4885GPBAR1 216/4885LMNA 3127/4885
US-20040220161-A1 Pharmaceutical compositions and treatment methods-6 HSD17B7, HSD3B1, NR5A1 G6PD 189/4885GPBAR1 202/4885LMNA 4641/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 G6PD 476/4885GPBAR1 199/4885LMNA 4380/4885
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 HSD3B1, HSD3B2, HSD17B13 G6PD 322/4885GPBAR1 295/4885LMNA 3602/4885
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 G6PD 536/4885GPBAR1 174/4885LMNA 4071/4885
US-20050101581-A1 Therapeutic treatment methods 2 HSD3B2, HSD3B1, HSD17B2 G6PD 252/4885GPBAR1 187/4885LMNA 2777/4885
US-20040138187-A1 Therapeutic treatment methods ELANE, ALOX15, IL15 G6PD 362/4885GPBAR1 244/4885LMNA 3502/4885

“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.

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