SCHEMBL1089752

SCHEMBL1089752

COC(=O)C(=O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TET2 Q6N021 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TGFBR1 P36897 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN1 P18031 1/20 0.33
CA1 P00915 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
SCHEMBL16045572 0.84 ALDH1A1 (0.36) CA2ALDH1A1TDP1TET2EGLN1
SCHEMBL1242996 0.80 ALDH1A1 (0.33) CA2ALDH1A1TET2EGLN1TGFBR1
SCHEMBL18230536 0.80 ALDH1A1 (0.33) CA2ALDH1A1TET2EGLN1TGFBR1
SCHEMBL10010142 0.79 ALDH1A1 (0.43) CA2ALDH1A1TDP1MMP1MMP2
SCHEMBL10010138 0.79 ALDH1A1 (0.43) CA2ALDH1A1TDP1MMP1MMP2
SCHEMBL14871922 0.78 CA2 (0.37) CA2ALDH1A1MMP1MMP2MMP3
SCHEMBL1301448 0.78 TGFBR1 (0.39) EGLN1TGFBR1
SCHEMBL1089594 0.77 CA2 (0.44) CA2ALDH1A1TDP1MMP1MMP2
SCHEMBL4231118 0.77 ALDH1A1 (0.48) CA2ALDH1A1TDP1MMP1MMP2
SCHEMBL1242994 0.77 CA2 (0.44) CA2ALDH1A1TDP1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102497774-A Methods of assessing embryo outcome BWT BIOMETRICS LLC 2012-06-13 CN claimed
CN-119176810-A Cyclic dipeptide diving incense component, preparation method and application 四川中烟工业有限责任公司 2024-12-24 CN disclosed
WO-2024220866-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-10-24 WO disclosed
CN-115916243-A Compositions containing fast-acting insulin analogues 塞尔玛琳公司 2023-04-04 CN disclosed
CN-109796414-A A method of continuously preparing Rosuvastatin intermediate using microchannel module reaction unit 中国药科大学 2019-05-24 CN disclosed
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
US-9067935-B2 Imidazo[1,2-α]pyridine sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2015-06-30 US disclosed
US-9067935-B2 Imidazo[1,2-α]pyridine sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2015-06-30 US disclosed
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 WO disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
WO-2008064093-A2 SALTS AND CRYSTAL FORMS OF 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
CN-1655778-A Methods of treating hepatitis C virus infection using pyranoindole derivatives WYETH CORP (US) 2005-08-17 CN disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 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 (2 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 CA2 4572/4885ALDH1A1 495/4885TDP1 4184/4885
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP CA2 2178/4885ALDH1A1 991/4885TDP1 854/4885

“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.