SCHEMBL6323155

SCHEMBL6323155

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
CETP P11597 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CFTR P13569 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL6323156 1.00 TSHR (0.40) TSHRHSD17B10CETPMGAMGAA
SCHEMBL27528726 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL26273500 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL6325788 0.78 LMNA (0.38) TSHRCETPMAPTHTTALDH1A1
SCHEMBL1532632 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL16190580 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL195939 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL6325792 0.78 LMNA (0.38) TSHRCETPMAPTHTTALDH1A1
SCHEMBL6342061 0.77 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL6382635 0.77 F2 (0.33) TSHRHSD17B10MGAMGAASI

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
EP-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP claimed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 EP claimed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
CN-112645890-B Synthesis method of 2-pyrazine carboxylic ester compound 江苏广域化学有限公司 2022-08-12 CN disclosed
EP-3973997-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2022-03-30 EP disclosed
CN-112645890-A Synthesis method of 2-pyrazine carboxylic ester compound 江苏广域化学有限公司 2021-04-13 CN disclosed
WO-2020148780-A1 PROCESS FOR PREPARATION OF 4,4,4- TRIFLUOROBUT-2-EN-1-OL AND INTERMEDIATE THEREOF SRF LIMITED (IN) 2020-07-23 WO disclosed
EP-1258470-B1 Process for producing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 2005-08-17 EP disclosed
US-6893861-B1 Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives LONZA AG (CH) 2005-05-17 US disclosed
US-6723871-B2 ASYMMETRIC REDUCTION OF A BETA-KETO ESTER IN THE PRESENCE OF A RUTHENIUM-DIAMINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-20 US disclosed
US-20030004362-A1 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION 2003-01-02 US disclosed
US-5171471-A Having wide range of phase transition temperatures for faster optical response times SHOWA SHELL SEKIYU K.K. (JP) 1992-12-15 US disclosed
EP-0404584-A2 Oxidation and reduction method to produce 4-acyloxyazetidin-2-one MERCK & CO. INC. (US) 1990-12-27 EP disclosed
EP-0404586-A2 Nitrogen deprotected 4-acyloxyazetidin-2-ones MERCK & CO. INC. (US) 1990-12-27 EP disclosed
EP-0404583-A2 Process for the preparation of 4-acyloxyazetidin-2-one by electrochemical methods MERCK & CO. INC. (US) 1990-12-27 EP disclosed
EP-0404585-A2 Process for the preparation of 4-acyloxyazetidin-2-one by singlet oxygen oxidation MERCK & CO. INC. (US) 1990-12-27 EP disclosed
US-4952288-A Process for the preparation of 4-acyloxyazetidin-2-one by electrochemical methods MERCK & CO., INC. (US) 1990-08-28 US disclosed
US-4940520-A Process for the preparation of 4-acyloxyazetidin-2-one by singlet oxygen oxidation MERCK & CO., INC. (US) 1990-07-10 US disclosed
US-4923982-A Oxidation and reduction method to produce 4-acyloxyazetidin-2-one MERCK & CO., INC. (US) 1990-05-08 US disclosed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 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 (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-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 TSHR 2127/4885HSD17B10 348/4885CETP 3531/4885
US-20030004362-A1 Process for producing optically active alcohol ADH1A, ADH5, ADH1C TSHR 1206/4885HSD17B10 103/4885CETP 206/4885

“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.