SCHEMBL4889447

SCHEMBL4889447

COc1cc(Cl)cc(Cl)c1B(c1c(Cl)cc(Cl)cc1OC)c1c(Cl)cc(Cl)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 3/20 0.38
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TTR P02766 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 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
SCHEMBL29955180 0.83 ERN1 (0.44) ERN1NPC1GAAMAPTTDP1
SCHEMBL13744875 0.83 ERN1 (0.44) ERN1NPC1GAAMAPTTDP1
SCHEMBL4882107 0.78 TSHR (0.36) MAPTTDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8940869 0.77 ERN1 (0.44) ERN1NPC1GAAMAPTTDP1
SCHEMBL29957585 0.76 ERN1 (0.48) ERN1NPC1GAAMAPTTRPV4
SCHEMBL4889444 0.75 ALDH1A1 (0.50) ERN1MAPTTDP1ALDH1A1TTR
SCHEMBL9563947 0.75 ALDH1A1 (0.52) ERN1NPC1GAAMAPTTDP1
SCHEMBL10118361 0.73 MAPT (0.42) ERN1NPC1GAAMAPTTDP1
SCHEMBL29768451 0.71 ERN1 (0.40) ERN1NPC1GAAMAPTTDP1
SCHEMBL1505978 0.71 ERN1 (0.40) ERN1NPC1GAAMAPTTDP1

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
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 ERN1 1660/4885NPC1 553/4885GAA 3897/4885

“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.