SCHEMBL2398516

SCHEMBL2398516

Cc1ccc(B(O)C(OC(B(O)c2ccc(C)c(Cl)c2)c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 10/20 0.38
LMNA P02545 5/20 0.38
GAA P10253 3/20 0.38
HTR1E P28566 3/20 0.38
S1PR3 Q99500 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AGTR1 P30556 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 2/20 0.35
APAF1 O14727 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2398413 1.00 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAAHTR1E
SCHEMBL2407494 0.88 ALDH1A1 (0.35) ALDH1A1MAPTLMNAGAAHTR1E
SCHEMBL2397027 0.77 HTT (0.35) MAPTLMNAGAARAB9AKDM4E
SCHEMBL2400587 0.75 ORAI1 (0.42) LMNAMAPK1KMT2A
SCHEMBL2398467 0.75 ALDH1A1 (0.37) ALDH1A1MAPTLMNAGAAHTR1E
SCHEMBL2397906 0.73 DRD3 (0.37) ALDH1A1MAPTLMNAGAAHTR1E
SCHEMBL2400484 0.73 CHRM1 (0.39) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL5166435 0.73 TRPV6 (0.57) ALDH1A1MAPTGAAMAPK1RAB9A
SCHEMBL2399738 0.72 ENPP2 (0.48) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL2405995 0.71 ORAI1 (0.38)

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 10 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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ALDH1A1 4540/4885MAPT 3240/4885LMNA 3426/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ALDH1A1 4802/4885MAPT 2725/4885LMNA 3312/4885

“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.