SCHEMBL6000874

SCHEMBL6000874

CC(C)CCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CYP2D6 P10635 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
APP P05067 1/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STING1 Q86WV6 1/20 0.33

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
SCHEMBL10137828 0.87 CA1 (0.38) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL29707466 0.85 EPHX2 (0.39) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL28632400 0.84 CYP2D6 (0.42) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL28634513 0.84 CYP2D6 (0.42) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL9112224 0.84 CYP2D6 (0.39) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL27475233 0.84 CYP2D6 (0.42) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL16077490 0.84 HDAC1 (0.40) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL22098470 0.84 EPHX2 (0.41) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL28243607 0.84 EPHX2 (0.41) CA1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL31466178 0.84 CYP2D6 (0.39) CA1CYP2D6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN claimed
CN-101384601-A Novel 6-amino-morphinan derivatives, method of manufacturing them and their application as analgesics ALCASYNN PHARMACEUTICALS GMBH (AT) 2009-03-11 CN claimed
CN-119977892-A Preparation method and application of benzimidazole skeleton-containing compound 中国科学院上海药物研究所 2025-05-13 CN disclosed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-12-14 US disclosed
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-12-14 US disclosed
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS ANIXA BIOSCIENCES, INC. 2023-10-26 US disclosed
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN disclosed
US-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF XOMA (US) LLC 2023-10-12 US disclosed
CN-1114402-C Isothiazolones WARNER LAMBERT CO (US) 2003-07-16 CN disclosed
CN-1100785-C 1,3,4, 5-tetrahydrobenzo [ C ] azepine * -3-one disulfide derivatives and methods MERVELL DOW PHARMACEUTICALS IN (US) 2003-02-05 CN disclosed
CN-1066150-C Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 2001-05-23 CN disclosed
CN-1185737-A Isothiazolones WARNER LAMBERT CO (US) 1998-06-24 CN disclosed
CN-1180358-A Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 1998-04-29 CN disclosed
CN-1140454-A Novel mercaptoacetylamido-1,3,4,5-tetrahydro-benzo[c] azepin-3-one disulfide derivs. useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMA (US) 1997-01-15 CN disclosed
CN-1014515-B Process for preparing nonaromatic fluoroallylamine as MAO inhibitor MERRELL DOW PHARMA (US) 1991-10-30 CN disclosed
CN-86108051-A NONAROMATIC FLUOROALLYLAMINE MAO INHIBITORS 1987-08-19 CN disclosed
EP-0224924-A2 Non-aromatic fluorallylamine MAO inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-06-10 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 (4 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-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MPO, MUC1, CRYAB CA1 609/4885CYP2D6 3265/4885HDAC3 1468/4885
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD CA1 4318/4885CYP2D6 1066/4885HDAC3 1464/4885
US-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGER4 CA1 2136/4885CYP2D6 1425/4885HDAC3 2346/4885
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS SERPINB1, PREP, PRCP CA1 3745/4885CYP2D6 2476/4885HDAC3 1965/4885

“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.