SCHEMBL21798437

SCHEMBL21798437

CC(C)=CCCC(C)CCOC(=O)NC(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
NFE2L2 Q16236 1/20 0.42
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CASR P41180 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 4/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL21798427 0.86 ALOX15 (0.50) ALOX15NFE2L2CTSK
SCHEMBL25990286 0.81 ALOX15 (0.55) ALOX15NFE2L2MEN1KMT2A
SCHEMBL5605059 0.78 ALOX15 (0.61) ALOX15NFE2L2
SCHEMBL5605056 0.78 ALOX15 (0.61) ALOX15NFE2L2
SCHEMBL585939 0.78 ALOX15 (0.61) ALOX15NFE2L2
SCHEMBL30372415 0.76 ALOX15 (0.52) ALOX15NFE2L2
SCHEMBL25990057 0.76 ALOX15 (0.58) ALOX15NFE2L2
SCHEMBL874243 0.76 ALOX15 (0.58) ALOX15NFE2L2
SCHEMBL6560967 0.76 ALOX15 (0.58) ALOX15NFE2L2
SCHEMBL19506885 0.75 ALOX15 (0.57) ALOX15NFE2L2KMT2A

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-10738064-B2 Chiral α-amino tertiary boronic esters PURDUE RESEARCH FOUNDATION (US) 2020-08-11 US disclosed
US-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters PURDUE RESEARCH FOUNDATION (US) 2020-03-12 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 (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-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters HBB, BCAT1, BCAT2 ALOX15 3850/4885NFE2L2 3435/4885POLB 976/4885
US-10738064-B2 Chiral α-amino tertiary boronic esters HBB, BCAT1, BCAT2 ALOX15 4007/4885NFE2L2 3185/4885POLB 1658/4885

“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.