SCHEMBL5485284

SCHEMBL5485284

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC13A5 Q86YT5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL21219095 0.98 ALDH1A1 (0.44) ALDH1A1TSHRLMNAMAPTHCAR2
SCHEMBL37069 0.94 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPTMEN1
Water SCHEMBL17966763 0.92 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMAPTMEN1
Ammonia Solution, Strong SCHEMBL21219077 0.92 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL20377339 0.89 TSHR (0.39) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL33568 0.83 MEN1 (0.42) ALDH1A1TSHRLMNAMAPTHCAR2
SCHEMBL9244620 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMAPTMEN1
Ammonia Solution, Strong SCHEMBL21219103 0.81 MEN1 (0.41) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL1648052 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL5485278 0.80 MEN1 (0.41) ALDH1A1TSHRLMNAMAPTHCAR2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851511-B Preparation method of isopropyl citrate 蚌埠丰原涂山制药有限公司 2023-09-05 CN disclosed
CN-112851511-A Preparation method of isopropyl citrate 蚌埠丰原涂山制药有限公司 2021-05-28 CN disclosed
WO-2020137686-A1 EMULSIFIED COMPOSITION FOR EXTERNAL APPLICATION 小林製薬株式会社 2020-07-02 WO disclosed
WO-2018065475-A1 METHOD FOR THE PRODUCTION OF METHYLSUCCINIC ACID AND THE ANHYDRIDE THEREOF FROM CITRIC ACID KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-04-12 WO disclosed
CN-103518151-B Retardation film, polarizing plate, liquid crystal display device, and compound 柯尼卡美能达株式会社 2016-09-28 CN disclosed
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed
CN-103518151-A Retardation film, polarizing plate, liquid crystal display device, and compound KONICA MINOLTA ADVANCED LAYERS 2014-01-15 CN disclosed
US-20130335685-A1 RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND COMPOUND KONICA MINOLTA , INC. (JP) 2013-12-19 US disclosed
US-20070275022-A1 Cosmetic Hair Preparation LION CORPORATION (JP) 2007-11-29 US disclosed
JP-2004313004-A INSECT-PROOF TOOL AND INSECT-PROOF METHOD SAKURA COLOR PROD CORP 2004-11-11 JP disclosed
US-5391771-A Reacting citric acid or esters on hydrogenation catalyst in nonaqueous solvent BASF AKTIENGESELLSCHAFT 1995-02-21 US disclosed
US-4572740-A Citric acid esters as blowing and nucleating agents in the processing plastics BOEHRINGER INGELHEIM KG (DE) 1986-02-25 US disclosed
US-4010253-A Process of suppressing odors employing deodorants containing esters of citric acid HENKEL & CIE G.M.B.H. (DT) 1977-03-01 US 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-20070275022-A1 Cosmetic Hair Preparation CUTA, H1-10, PUF60 ALDH1A1 1020/4885TSHR 3396/4885LMNA 713/4885

“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.