SCHEMBL569538

SCHEMBL569538

Cc1cc(C)c2c(c1C)OC(C)(C)C(O)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTPN1 P18031 5/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ CYP19A1 P11511 2/20 0.32
▸ HIF1A Q16665 3/20 0.32
▸ CTSV O60911 1/20 0.32
▸ MMP3 P08254 1/20 0.32

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
SCHEMBL29514811 0.80 PTGS1 (0.34) CYP3A4
SCHEMBL1628640 0.80 PTGS1 (0.34) CYP3A4
SCHEMBL1356915 0.77 — —
SCHEMBL29242847 0.77 MAOA (0.33) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL2142826 0.76 PSEN1 (0.34) PTPN1GAA
SCHEMBL10705687 0.75 — —
SCHEMBL29242849 0.75 TSHR (0.32) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL3662900 0.73 HTT (0.30) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL11445907 0.71 ESR1 (0.35) PTPN1
SCHEMBL29242848 0.71 PSEN1 (0.38) KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263946-A1 MEDICAL DEVICES HAVING ANTI-MICROBIAL PROPERTIES AND METHODS FOR MAKING THE SAME HOLLISTER INCORPORATED 2023-08-24 — — US claimed
EP-4178637-A1 MEDICAL DEVICES HAVING ANTI-MICROBIAL PROPERTIES AND METHODS FOR MAKING THE SAME Hollister Incorporated (US) 2023-05-17 — — EP claimed
WO-2022015755-A1 MEDICAL DEVICES HAVING ANTI-MICROBIAL PROPERTIES AND METHODS FOR MAKING THE SAME HOLLISTER INCORPORATED (US) 2022-01-20 — — WO claimed
WO-2012017057-A1 ADHESIVE COMPOSITION WITH ENHANCED CURE THROUGH VOLUME LOCTITE (R&D) LIMITED (IE) 2012-02-09 — — WO claimed
US-20230263946-A1 MEDICAL DEVICES HAVING ANTI-MICROBIAL PROPERTIES AND METHODS FOR MAKING THE SAME HOLLISTER INCORPORATED 2023-08-24 — — US disclosed
EP-2679580-B1 THIOAMIDE COMPOUND, METHOD FOR PRODUCING THIOAMIDE COMPOUND, METHOD FOR PRODUCING [(4R,6R)-6-AMINOETHYL-1,3-DIOXAN-4-YL]ACETATE DERIVATIVE, AND METHOD FOR PRODUCING ATORVASTATIN MICROBIAL CHEM RES FOUND (JP) 2017-08-09 — — EP disclosed
CN-103384659-B Thioamide compound and produce the method for this compound, [(4R, 6R)-6-aminoethyl-1,3-dioxane-4-yl] acetic ester derivative and atorvastatin MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-11-25 — — CN disclosed
US-8785690-B2 Thioamide compound, method for producing thioamide compound, method for producing [(4R,6R)-6-aminoethyl-1,3-dioxan-4-yl]acetate derivative, and method for producing atorvastatin MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2014-07-22 — — US disclosed
US-20130338375-A1 Thioamide Compound, Method for Producing Thioamide Compound, Method for Producing [(4R,6R)-6-Aminoethyl-1,3-Dioxan-4-YL]Acetate Derivative, and Method for Producing Atorvastatin MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-12-19 — — US disclosed
CN-103384659-A Thioamide compound, method for producing thioamide compound, method for producing [(4r,6r)-6-aminoethyl-1,3-dioxane-4-yl]acetate derivative, and method for producing atorvastatin MICROBIAL CHEM RES FOUND 2013-11-06 — — CN disclosed
WO-2012017057-A1 ADHESIVE COMPOSITION WITH ENHANCED CURE THROUGH VOLUME LOCTITE (R&D) LIMITED (IE) 2012-02-09 — — WO disclosed
EP-2125017-A2 MODULATION OF NEUROGENESIS WITH USE OF MODAFINIL Braincells, Inc. (US) 2009-12-02 — — EP disclosed
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 — — WO disclosed
EP-1940389-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION Braincells, Inc. (US) 2008-07-09 — — EP disclosed
EP-1928437-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION Braincells, Inc. (US) 2008-06-11 — — EP disclosed
WO-2008030651-A1 COMBINATIONS CONTAINING A 4-ACYLAMINOPYRIDINE DERIVATIVE BRAINCELLS, INC. (US) 2008-03-13 — — WO disclosed
WO-2007134136-A2 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS, INC. (US) 2007-11-22 — — WO disclosed
WO-2007134077-A2 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2007-11-22 — — WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 — — WO disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 — — 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 (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-20130338375-A1 Thioamide Compound, Method for Producing Thioamide Compound, Method for Producing [(4R,6R)-6-Aminoethyl-1,3-Dioxan-4-YL]Acetate Derivative, and Method for Producing Atorvastatin HMGCR, CYP4A11, NR1H3 KDM4E 3903/4885ALDH1A1 1232/4885CYP3A4 64/4885

“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.

Send feedback