SCHEMBL3239453

SCHEMBL3239453

COC(=O)CCC(C(C)=O)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC1A1 P43005 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 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
SCHEMBL1406231 0.89 TSHR (0.55) TSHRSLC1A1MGAMGAASI
SCHEMBL8686256 0.89 TSHR (0.55) TSHRSLC1A1MGAMGAASI
SCHEMBL28576166 0.86 L3MBTL1 (0.45) TSHRSLC1A1MGAMGAASI
SCHEMBL28576167 0.86 L3MBTL1 (0.49) MGAMGAASIMGAM2KMT2A
SCHEMBL11121706 0.86 TSHR (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL3752221 0.85 ALDH1A1 (0.38) TSHRMGAMGAASIMGAM2
SCHEMBL17190718 0.85 TSHR (0.41) TSHRSLC1A1MGAMGAASI
SCHEMBL17190717 0.85 LMNA (0.42) TSHRSLC1A1MGAMGAASI
SCHEMBL17995485 0.83 TSHR (0.40) TSHRSLC1A1MGAMGAASI
SCHEMBL28634576 0.80 TSHR (0.44) TSHRSLC1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028755-B Method for preparing 1,3 cyclohexanedione 山东亘元生物科技有限公司 2022-05-24 CN disclosed
CN-112028755-B Method for preparing 1,3 cyclohexanedione 山东亘元生物科技有限公司 2022-05-24 CN disclosed
CN-113336629-A Preparation process of 1,3 cyclohexanedione 上海埃农生物科技有限公司 2021-09-03 CN disclosed
CN-112028755-A Method for preparing 1,3 cyclohexanedione 青岛科技大学 2020-12-04 CN disclosed
CN-112028755-A Method for preparing 1,3 cyclohexanedione 青岛科技大学 2020-12-04 CN disclosed
US-10017605-B2 Foam compositions Gaco Western, LLC (US) 2018-07-10 US disclosed
US-9631142-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-04-25 US disclosed
US-20160272754-A1 FOAM COMPOSITIONS AMRIZE TECHNOLOGY SWITZERLAND LLC (CH) 2016-09-22 US disclosed
US-9359471-B2 Foam compositions Gaco Western, LLC (US) 2016-06-07 US disclosed
US-20160090534-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-31 US disclosed
EP-2087058-A2 RELEASE SHEETS AND METHODS OF MAKING THE SAME S.D. Warren Company (US) 2009-08-12 EP disclosed
WO-2008055026-A2 RELEASE SHEETS AND METHODS OF MAKING THE SAME S.D. WARREN COMPANY (US) 2008-05-08 WO disclosed
WO-2008055026-A2 RELEASE SHEETS AND METHODS OF MAKING THE SAME S.D. WARREN COMPANY (US) 2008-05-08 WO disclosed
US-20080102271-A1 Release sheets and methods of making the same S.D. WARREN COMPANY 2008-05-01 US disclosed
US-20080102271-A1 Release sheets and methods of making the same S.D. WARREN COMPANY 2008-05-01 US disclosed
EP-0900230-B1 ESCULETIN DERIVATIVES IDG UK LTD (GB) 2001-12-12 EP disclosed
US-6287798-B1 COMPOUND WHICH IS HYDROLYZABLE BY MICROORGANISMS FOR DETECTION IN SAMPLES; FORMS BLACK, INSOLUBLE, NONDIFFUSABLE COMPOUND IDG (UK) LIMITED (GB) 2001-09-11 US disclosed
US-6008008-A 6- OR 7-SUBSTITUTED DERIVATIVES WHICH ARE MICROBIALLY HYDROLYZABLE TO FLUORESCENT, IRON CHELATING MOIETIES WHICH ARE NONDIFFUSING IN AGAR AND OTHER AQUEOUS ENVIRONMENTS; FOR DETECTION OF MICROORGANISMS IDG (UK) LIMITED (GB) 1999-12-28 US disclosed
EP-0900230-A2 ESCULETIN DERIVATIVES IDG (UK) Limited (GB) 1999-03-10 EP disclosed
WO-1997041138-A2 ESCULETIN DERIVATIVES IDG (UK) LIMITED (GB) 1997-11-06 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-20160090534-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE MBD2, SSB, MBTD1 TSHR 3128/4885SLC1A1 3221/4885MGAM 4272/4885

“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.