SCHEMBL25399343

SCHEMBL25399343

CC(=NO)OCc1cccc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
DPP4 P27487 1/20 0.37
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GRM5 P41594 2/20 0.33
P2RX7 Q99572 1/20 0.33
MBOAT4 Q96T53 1/20 0.33

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
SCHEMBL25400379 0.82 MBOAT4 (0.34) MBOAT4KCNH2KDM1AMAOAMAOB
SCHEMBL1558091 0.79 ALDH1A1 (0.47) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL2660455 0.75 ALDH1A1 (0.43) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL2660453 0.75 ALDH1A1 (0.43) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL2662610 0.74 ALDH1A1 (0.42) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL29099348 0.73 MEN1 (0.38) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL791993 0.72 CCR1 (0.44) MEN1KMT2AOPRM1OPRD1CCR1
SCHEMBL25399338 0.72 MEN1 (0.37) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL24916774 0.71 CCR1 (0.52) HSD17B3MEN1KMT2AOPRM1OPRD1
SCHEMBL30201993 0.71 CCR1 (0.52) HSD17B3MEN1KMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 HSD17B3 659/4885MEN1 800/4885KMT2A 2072/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 HSD17B3 1440/4885MEN1 386/4885KMT2A 1197/4885

“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.