SCHEMBL7720044

SCHEMBL7720044

NCC(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR2A P28223 2/20 0.44
CASP3 P42574 2/20 0.38
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2194902 0.90 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL12187737 0.87 KMT2A (0.64) KMT2AFABP5FABP7CA1CA2
SCHEMBL15058849 0.87 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL18981946 0.86 KMT2A (0.62) KMT2AFABP5FABP7CA1CA2
SCHEMBL8612414 0.84 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL44676 0.84 KMT2A (0.58) KMT2AFABP5FABP7CA1CA2
SCHEMBL29598813 0.83 FABP5 (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL7767154 0.83 FABP5 (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL30988970 0.82 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL29615851 0.82 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 US disclosed
US-20220185841-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTIVE GROUP, AND HYDRAZINE DERIVATIVE FUJIFILM CORPORATION (JP) 2022-06-16 US disclosed
EP-4011902-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTING GROUP, AND HYDRAZINE DERIVATIVE FUJIFILM Corporation (JP) 2022-06-15 EP disclosed
WO-2021049552-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTING GROUP, AND HYDRAZINE DERIVATIVE 富士フイルム株式会社 2021-03-18 WO disclosed
EP-3747863-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2020-12-09 EP disclosed
EP-1119528-B1 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LTD (GB) 2002-08-28 EP disclosed
EP-1119528-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2001-08-01 EP disclosed
WO-2000020112-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2000-04-13 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 (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-20220185841-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTIVE GROUP, AND HYDRAZINE DERIVATIVE VIP, HRH1, NGLY1 KMT2A 1820/4885FABP5 1341/4885FABP7 3396/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP KMT2A 4090/4885FABP5 259/4885FABP7 67/4885

“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.