Sugi Predict

Sugi Predict / Compounds / SCHEMBL1047682

SCHEMBL1047682

SCHEMBL1047682

C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(O)CC[C@]3(C)[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 1.00
▸ CDK5 Q00535 1/20 0.70
▸ CDK5R1 Q15078 1/20 0.70
▸ LMNA P02545 3/20 0.67
▸ GPBAR1 Q8TDU6 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ SHBG P04278 1/20 0.67
▸ SERPINA6 P08185 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ GRIN1 Q05586 2/20 0.63
▸ GRIN2B Q13224 2/20 0.63
▸ G6PD P11413 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GABRP O00591 1/20 0.59
▸ GABRD O14764 1/20 0.59
▸ GMNN O75496 1/20 0.59

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
SCHEMBL15963473 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL3130550 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL3440809 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL2555591 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL13785427 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL11128263 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL21802632 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL20781172 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL20781187 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1
SCHEMBL11250886 1.00 NR1I3 (1.00) NR1I3CDK5CDK5R1LMNAGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206719-A2 Novel C-17-Heteroaryl Steroidal CYP17 Inhibitors/Antiandrogens: Synthesis, In Vitro Biological Activities, Pharmacokinetics and Antitumor University Of Maryland (US) 2010-07-14 — — EP claimed
EP-0801557-B1 LIPOSOME FORMULATIONS OF 5BETA STEROIDS SUPERGEN INC (US) 2003-07-02 — — EP claimed
EP-0801557-A2 LIPOSOME FORMULATIONS OF 5$g(b) STEROIDS SUPERGEN, INC. (US) 1997-10-22 — — EP claimed
WO-1997013500-A2 LIPOSOME FORMULATIONS OF 5β STEROIDS SUPERGEN, INC. (US) 1997-04-17 — — WO claimed
EP-0139554-B1 DERIVATIVES OF MURAMYL PEPTIDES AND STEROIDS HAVING MACROPHAGE ACTIVATING PROPERTIES ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1989-08-02 — — EP claimed
US-4663311-A Derivatives of muramyl-peptides and of steroids having macrophage-activating properties TENU JEAN P (FR) 1987-05-05 — — US claimed
EP-0139554-A1 Derivatives of muramyl peptides and steroids having macrophage activating properties ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1985-05-02 — — EP claimed
US-3968132-A (17R)-Spiro-[androstane-17,1'-cyclobutan]-2'-ones, methods for their manufacture and intermediates useful therein SCHERING CORPORATION (US) 1976-07-06 — — US claimed
US-11221299-B2 Ultra-high-sensitive assay of protein and nucleic acid and kit, and novel enzyme substrate Watabe, Satoshi (JP) 2022-01-11 — — US disclosed
EP-3296405-B1 METHOD AND KIT FOR SUPER-HIGH-SENSITIVITY MEASUREMENT OF PROTEIN AND NUCLEIC ACID, AND NOVEL ENZYME SUBSTRATE ITO ETSURO (JP) 2019-10-09 — — EP disclosed
EP-3186267-B1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-10-02 — — EP disclosed
US-10017535-B2 Amphiphilic compounds with neuroprotective properties USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2018-07-10 — — US disclosed
US-20180106727-A1 ULTRA-HIGH-SENSITIVE ASSAY OF PROTEIN AND NUCLEIC ACID AND KIT, AND NOVEL ENZYME SUBSTRATE BIOPHENOMA INC. (JP) 2018-04-19 — — US disclosed
EP-3296405-A1 METHOD AND KIT FOR SUPER-HIGH-SENSITIVITY MEASUREMENT OF PROTEIN AND NUCLEIC ACID, AND NOVEL ENZYME SUBSTRATE Ito, Etsuro (JP) 2018-03-21 — — EP disclosed
EP-0139554-B1 DERIVATIVES OF MURAMYL PEPTIDES AND STEROIDS HAVING MACROPHAGE ACTIVATING PROPERTIES ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1989-08-02 — — EP disclosed
US-4663311-A Derivatives of muramyl-peptides and of steroids having macrophage-activating properties TENU JEAN P (FR) 1987-05-05 — — US disclosed
EP-0139554-A1 Derivatives of muramyl peptides and steroids having macrophage activating properties ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1985-05-02 — — EP disclosed
US-4071625-A 19-Oxygenated-5α-androstanes for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 — — US disclosed
US-3941811-A Oxidation process ROUSSEL-UCLAF (FR) 1976-03-02 — — US disclosed
JP-S06314692-A — — 0001-01-01 — — JP 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 (1 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-10017535-B2 Amphiphilic compounds with neuroprotective properties GAP43, GRIN2A, GRIN3A NR1I3 537/4885CDK5 2779/4885CDK5R1 3220/4885

“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.