SCHEMBL8030378

SCHEMBL8030378

CC(C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
DGAT1 O75907 1/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CYP2D6 P10635 1/20 0.34
NOS1 P29475 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 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
SCHEMBL1845280 1.00 HTT (0.40) HTTDGAT1KMT2ALMNACA12
SCHEMBL8028869 1.00 HTT (0.40) HTTDGAT1KMT2ALMNACA12
SCHEMBL19407016 1.00 HTT (0.40) HTTDGAT1KMT2ALMNACA12
SCHEMBL17243717 0.89 HTT (0.34) HTTDGAT1KMT2ALMNACA12
SCHEMBL6058611 0.89 TSHR (0.50) HTTDGAT1KMT2ALMNACA12
SCHEMBL18206870 0.89 DGAT1 (0.44) HTTDGAT1KMT2ALMNACA12
SCHEMBL11855010 0.86 CA1 (0.39) DGAT1KMT2ALMNACA12CA14
SCHEMBL4671957 0.86 CA1 (0.39) DGAT1KMT2ALMNACA12CA14
SCHEMBL16667110 0.86 KMT2A (0.39) HTTDGAT1KMT2ALMNACA12
SCHEMBL4671964 0.86 CA1 (0.39) DGAT1KMT2ALMNACA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286510-A L-tartaric acid di-tert-butyl ester crystal form and preparation method thereof 山东药品食品职业学院 2022-11-04 CN claimed
US-11912811-B2 Catalyst composition, cleaning liquid composition containing the same, and method of cleaning polymerization apparatus using the cleaning liquid composition LG CHEM, LTD. (KR) 2024-02-27 US disclosed
CN-113784991-B Catalyst composition, cleaning liquid composition comprising the same, and method for cleaning polymerization device using the same 株式会社LG化学 2023-06-30 CN disclosed
EP-3919522-B1 CATALYST COMPOSITION, CLEANING LIQUID COMPOSITION COMPRISING SAME, AND METHOD FOR CLEANING POLYMERIZATION DEVICE BY USING SAME LG CHEMICAL LTD (KR) 2023-01-04 EP disclosed
CN-115368240-A Crystal form A and crystal form B of tetraacetyl-L-chicoric acid and preparation method thereof 山东药品食品职业学院 2022-11-22 CN disclosed
CN-115286510-A L-tartaric acid di-tert-butyl ester crystal form and preparation method thereof 山东药品食品职业学院 2022-11-04 CN disclosed
CN-115286510-A L-tartaric acid di-tert-butyl ester crystal form and preparation method thereof 山东药品食品职业学院 2022-11-04 CN disclosed
CN-115286510-A L-tartaric acid di-tert-butyl ester crystal form and preparation method thereof 山东药品食品职业学院 2022-11-04 CN disclosed
US-20220162351-A1 Catalyst Composition, Cleaning Liquid Composition Containing the Same, and Method of Cleaning Polymerization Apparatus Using the Cleaning Liquid Composition LG CHEM, LTD. (KR) 2022-05-26 US disclosed
CN-113784991-A Catalyst composition, cleaning liquid composition comprising the same, and method for cleaning polymerization apparatus using the cleaning liquid composition 株式会社LG化学 2021-12-10 CN disclosed
US-10759740-B2 Antibacterial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-09-01 US disclosed
US-10640725-B2 Thermocleavable friction modifiers and methods thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-05-05 US disclosed
EP-3494199-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF Rutgers, the State University of New Jersey (US) 2019-06-12 EP disclosed
US-20190161436-A1 ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-30 US disclosed
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 US disclosed
WO-2018027227-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 WO disclosed
WO-2017165836-A1 ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-09-28 WO disclosed
US-9630905-B2 Amphiphilic macromolecules and methods of use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-04-25 US disclosed
US-20160068467-A1 AMPHIPHILIC MACROMOLECULES AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-03-10 US disclosed
WO-2000063152-A1 ACETYLATED AND RELATED ANALOGUES OF CHICORIC ACID AS HIV INTEGRASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-26 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 (5 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-10759740-B2 Antibacterial agents RPS4X, RPS4Y1, MRPL21 HTT 3352/4885DGAT1 2301/4885KMT2A 1959/4885
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF F12, F5, F3 HTT 1008/4885DGAT1 1401/4885KMT2A 1944/4885
US-20190161436-A1 ANTIBACTERIAL AGENTS RPS4X, RPS4Y1, MRPL21 HTT 3352/4885DGAT1 2301/4885KMT2A 1959/4885
US-10640725-B2 Thermocleavable friction modifiers and methods thereof F12, F5, F3 HTT 1008/4885DGAT1 1401/4885KMT2A 1944/4885
US-20160068467-A1 AMPHIPHILIC MACROMOLECULES AND METHODS OF USE THEREOF ZYX, APOB, MSR1 HTT 1407/4885DGAT1 795/4885KMT2A 3066/4885

“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.