SCHEMBL10168658

SCHEMBL10168658

OB(O)c1cccc(C[n+]2cccc3c4ccc[n+](Cc5cccc(B(O)O)c5)c4ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ENPP2 Q13822 3/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CHKA P35790 4/20 0.43
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
LMNA P02545 2/20 0.39

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
SCHEMBL14950829 0.96 KDM4E (0.58) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL10168651 0.87 KDM4E (0.44) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL10136994 0.87 KDM4E (0.44) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL2737207 0.80 KDM4E (0.47) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL16449242 0.79 KDM4E (0.35) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL16449244 0.78 KDM4E (0.44) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL2737171 0.76 KDM4E (0.33) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL10136900 0.76 KDM4E (0.80) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL13092015 0.72 ENPP2 (0.55) KDM4ERAB9AALDH1A1ENPP2BCHE
SCHEMBL10136969 0.71 KDM4E (0.41) KDM4ERAB9ANPC1MITFALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 US disclosed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 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 (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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB KDM4E 2991/4885RAB9A 2858/4885NPC1 4275/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB KDM4E 2991/4885RAB9A 2858/4885NPC1 4275/4885

“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.