SCHEMBL2404635

SCHEMBL2404635

CNCCOB(c1ccccc1)c1ccc(Oc2ccc(B(CO)OCC(NC)c3ccccc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TRPM2 O94759 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ SLC6A4 P31645 5/20 0.30
▸ GPR88 Q9GZN0 1/20 0.30
▸ LYPLA1 O75608 1/20 0.30
▸ LYPLA2 O95372 1/20 0.30

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
SCHEMBL17698471 0.88 HTR1D (0.38) HTR1DALDH1A1HTR1BGPR88
SCHEMBL12266295 0.77 LTA4H (0.51) HTR1DKDM4EALDH1A1MEN1TRPM2
SCHEMBL13476024 0.76 LTA4H (0.49) HTR1DKDM4EALDH1A1MEN1TRPM2
SCHEMBL2407512 0.73 LYPLA1 (0.46) KDM4EALDH1A1MEN1TRPM2CYP1A2
SCHEMBL18782421 0.71 KDM4E (0.57) HTR1DKDM4EALDH1A1MEN1TRPM2
SCHEMBL13476037 0.71 KDM4E (0.44) HTR1DKDM4EALDH1A1MEN1TRPM2
SCHEMBL17698452 0.69 CHRNB2 (0.40) KDM4EALDH1A1
SCHEMBL3274019 0.69 CA1 (0.39) HTR1DALDH1A1ALOX12KMT2AGPR88
SCHEMBL12266290 0.68 CYP1A2 (0.49) HTR1DKDM4EALDH1A1MEN1TRPM2
SCHEMBL12270720 0.68 LYPLA1 (0.49) HTR1DKDM4EALDH1A1MEN1TRPM2

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP claimed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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 (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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 HTR1D 3920/4885KDM4E 1022/4885ALDH1A1 4540/4885

“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.

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