SCHEMBL25397996

SCHEMBL25397996

COC(=O)C1(Cc2ccccc2)CC(COCc2cccc(-c3cccc(OC)c3)c2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
EGLN1 Q9GZT9 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL29845947 1.00 GRIN2B (0.42) GRIN2BLMNACYP1A2CYP3A4CYP2D6
SCHEMBL25402654 0.94 EGLN1 (0.41) GRIN2BLMNACYP1A2CYP3A4CYP2D6
SCHEMBL25401089 0.94 GRIN2B (0.43) GRIN2BLMNATSHREGLN1FFAR1
SCHEMBL25400660 0.93 NR4A2 (0.36) GRIN2BCYP3A4FFAR1F2F10
SCHEMBL24517909 0.88 TSHR (0.40) GRIN2BLMNACYP1A2CYP3A4CYP2D6
SCHEMBL29847003 0.87 FFAR1 (0.44) FFAR1F2F10PRSS1ALDH1A1
SCHEMBL25400414 0.87 FFAR1 (0.44) FFAR1F2F10PRSS1ALDH1A1
SCHEMBL25399648 0.86 ADAM17 (0.41) GRIN2BEGLN1ALDH1A1
SCHEMBL25399531 0.86 EGLN1 (0.40) GRIN2BEGLN1KMT2AALDH1A1
SCHEMBL25400362 0.86 EGLN1 (0.43) GRIN2BCYP1A2EGLN1ALDH1A1

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 3 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

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 GRIN2B 4058/4885LMNA 151/4885CYP1A2 1381/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 GRIN2B 4394/4885LMNA 1548/4885CYP1A2 2451/4885

“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.