SCHEMBL2407494

SCHEMBL2407494

Cc1cc(B(O)C(OC(B(O)c2ccc(Cl)c(C)c2)c2ccccc2)c2ccccc2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
S1PR3 Q99500 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
SCN4A P35499 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2398516 0.88 ALDH1A1 (0.39) ALDH1A1S1PR3NPC1RAB9AMCL1
SCHEMBL2398413 0.88 ALDH1A1 (0.39) ALDH1A1S1PR3NPC1RAB9AMCL1
SCHEMBL2400587 0.75 ORAI1 (0.42) KMT2AORAI1ORAI2ORAI3TRPV6
SCHEMBL2397027 0.74 HTT (0.35) NPC1RAB9AKMT2ASMN1; SMN2IDO1
SCHEMBL12314712 0.73 TRPV6 (0.57) ALDH1A1NPC1RAB9AMCL1MRGPRX4
SCHEMBL2399738 0.72 ENPP2 (0.48) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2407734 0.71 ORAI1 (0.42) ALDH1A1NPC1KMT2ASMN1; SMN2ORAI1
SCHEMBL2405995 0.71 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6
SCHEMBL177405 0.69 TTR (0.50) MCL1
SCHEMBL29427126 0.69 TTR (0.50) MCL1

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-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 ALDH1A1 4540/4885S1PR3 4477/4885NPC1 4339/4885

“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.