SCHEMBL10137258

SCHEMBL10137258

OBOc1cc(C[n+]2ccccc2)cc(C[n+]2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ROCK2 O75116 5/20 0.33
ROCK1 Q13464 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
PRKACA P17612 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PRKX P51817 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
PRKCQ Q04759 1/20 0.33
LMNA P02545 1/20 0.33
PRKCI P41743 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
AURKA O14965 1/20 0.32

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
SCHEMBL10137100 0.86 ROCK1 (0.41) KDM4EALDH1A1RAB9ABCHEACHE
SCHEMBL12530382 0.77 KDM4E (0.40) KDM4EALDH1A1RAB9ABCHEACHE
SCHEMBL13561376 0.74 CHKA (0.53) KDM4EALDH1A1RAB9ABCHEACHE
Hydrochloric Acid SCHEMBL7166354 0.72 ALDH1A1 (0.66) KDM4EALDH1A1RAB9AROCK2ROCK1
SCHEMBL1108034 0.72 ALDH1A1 (0.66) KDM4EALDH1A1RAB9AROCK2ROCK1
SCHEMBL19663881 0.71 PABPC1 (0.44) KDM4EALDH1A1RAB9ABCHEACHE
Hydrochloric Acid SCHEMBL27637987 0.71 ALDH1A1 (0.64) KDM4EALDH1A1RAB9AROCK2ROCK1
Hydrochloric Acid SCHEMBL28357009 0.71 ALDH1A1 (0.64) KDM4EALDH1A1RAB9AROCK2ROCK1
Bromide SCHEMBL10969375 0.71 ALDH1A1 (0.64) KDM4EALDH1A1RAB9ALMNACHKA
SCHEMBL9999526 0.70 CHKA (0.52) KDM4EALDH1A1RAB9ABCHEACHE

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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 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

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 2991/4885ALDH1A1 1006/4885RAB9A 2858/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB KDM4E 2991/4885ALDH1A1 1006/4885RAB9A 2858/4885

“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.