SCHEMBL21924239

SCHEMBL21924239

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1ccc(C(=O)Oc2cc(OCCOCCOc3cc(OC(=O)c4ccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc4)cc(C(=O)OCc4ccccc4)c3)cc(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
JAK2 O60674 1/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 7/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
HIF1A Q16665 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LTA4H P09960 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL21924213 0.89 RARB (0.35) KMT2ABCHECNR2MAPTALDH1A1
SCHEMBL21924214 0.89 RARB (0.35) KMT2ABCHECNR2MAPTALDH1A1
SCHEMBL21859318 0.83 MAPT (0.52) KMT2AGAARAB9ABCHECNR2
SCHEMBL29896353 0.79 KMT2A (0.45) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL16355735 0.79 KMT2A (0.40) KMT2AGAARAB9AJAK2MAPT
SCHEMBL16355733 0.79 PRSS1 (0.45) KMT2AGAARAB9AJAK2MAPT
SCHEMBL18286877 0.79 PRSS1 (0.45) KMT2AGAARAB9AJAK2MAPT
SCHEMBL21924219 0.78 KMT2A (0.47) KMT2AGAARAB9AMAPTALDH1A1
SCHEMBL16355921 0.78 PRSS1 (0.39) KMT2AGAARAB9AMAPTALDH1A1
SCHEMBL15876042 0.78 KMT2A (0.48) KMT2AGAARAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403420-A1 BENZOATE COMPOUND SCOHIA PHARMA, INC. (JP) 2021-12-30 US disclosed
EP-3650440-A1 BENZOIC ESTER COMPOUND Scohia Pharma, Inc. (JP) 2020-05-13 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 (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-20210403420-A1 BENZOATE COMPOUND TMPRSS15, DPP4, DPP3 KMT2A 1020/4885GAA 67/4885RAB9A 4146/4885

“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.