SCHEMBL3237667

SCHEMBL3237667

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MME P08473 2/20 0.35
SLC15A1 P46059 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4756957 0.83 LMNA (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2921467 0.82 SLC1A3 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10259513 0.78 FOLH1 (0.46) FOLH1TSHRCPA1CPB1CPA3
SCHEMBL5069246 0.78 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
3-Methylbutanoic Acid SCHEMBL5028701 0.78 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27900346 0.78 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27784485 0.78 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5369808 0.78 FOLH1 (0.50) FOLH1TSHRCPA1CPB1CPA3
SCHEMBL13129295 0.77 FOLH1 (0.38) FOLH1MMP1MMP2MMP3MMP9
Tricarballylic Acid SCHEMBL1821947 0.76 FOLH1 (0.65) FOLH1TSHRLMNACPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336939-B2 Stabilizer compound, liquid crystal composition, and display device DIC CORPORATION (JP) 2019-07-02 US disclosed
US-20180223188-A1 STABILIZER COMPOUND, LIQUID CRYSTAL COMPOSITION, AND DISPLAY DEVICE DIC CORPORATION (JP) 2018-08-09 US disclosed
EP-1867630-B1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEM CO LTD (JP) 2010-10-20 EP disclosed
US-7745661-B2 Process for producing tricarboxylic acid tris (alkyl-substituted cyclohexylamide) NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-06-29 US disclosed
US-20090069599-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO., LTD., (JP) 2009-03-12 US disclosed
EP-1867630-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO.,LTD. (JP) 2007-12-19 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 (3 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-20090069599-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) ACMSD, CPS1, COASY FOLH1 1557/4885MMP1 4145/4885MMP2 2783/4885
US-20180223188-A1 STABILIZER COMPOUND, LIQUID CRYSTAL COMPOSITION, AND DISPLAY DEVICE CFD, GDI1, GDI2 FOLH1 4026/4885MMP1 2823/4885MMP2 1270/4885
US-10336939-B2 Stabilizer compound, liquid crystal composition, and display device CFD, GDI1, GDI2 FOLH1 4026/4885MMP1 2823/4885MMP2 1270/4885

“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.