SCHEMBL1114400

SCHEMBL1114400

O=C(O)CCC1CCC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
HTT P42858 1/20 0.42
FOLH1 Q04609 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
FFAR4 Q5NUL3 13/20 0.36
FFAR1 O14842 5/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7399173 0.89 CYP1A2 (0.41) CYP1A2HTTFOLH1FFAR4FFAR1
SCHEMBL29852059 0.87 CYP1A2 (0.40) CYP1A2HTTFOLH1FFAR4FFAR1
SCHEMBL9857060 0.86 CYP1A2 (0.63) CYP1A2
SCHEMBL29851943 0.86 CYP1A2 (0.39) CYP1A2HTTFOLH1FFAR4FFAR1
SCHEMBL3278372 0.85 CYP1A2 (0.51) CYP1A2CA1CA9
SCHEMBL10686823 0.83 CYP1A2 (0.50) CYP1A2CA1CA9
SCHEMBL3621337 0.83 CYP1A2 (0.54) CYP1A2CA1CA9
SCHEMBL2406971 0.82 CYP1A2 (0.46) CYP1A2CA1CA9
Methoxymethane SCHEMBL29851917 0.82 CYP1A2 (0.40) CYP1A2HTTFOLH1FFAR4FFAR1
SCHEMBL3280318 0.81 CYP1A2 (0.53) CYP1A2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461055-A Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2022-12-09 CN claimed
EP-2278975-B1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC (US) 2016-09-07 EP claimed
US-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS SCRIPPS RESEARCH INST (US) 2025-10-23 US disclosed
EP-4522595-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-03-19 EP disclosed
CN-115461055-B Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2025-01-28 CN disclosed
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS BRII BIOSCIENCES, INC. 2023-12-28 US disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
EP-4110345-A1 PRODRUGS OF NEUROACTIVE STEROIDS Brii Biosciences, Inc. (US) 2023-01-04 EP disclosed
CN-115461055-A Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2022-12-09 CN disclosed
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-8318705-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
EP-2278975-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2011-02-02 EP disclosed
WO-2009137717-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC. (US) 2009-11-12 WO disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 US disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 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 (3 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-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS DNPH1, NISCH, PTMA CYP1A2 3500/4885HTT 3294/4885FOLH1 150/4885
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS NR3C1, PGR, GABRD CYP1A2 225/4885HTT 3995/4885FOLH1 3951/4885
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 CYP1A2 2023/4885HTT 2710/4885FOLH1 3697/4885

“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.