SCHEMBL10137100

SCHEMBL10137100

OBOc1cccc(C[n+]2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.41
ROCK2 O75116 8/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
PRKACA P17612 4/20 0.41
PRKX P51817 2/20 0.41
PRKCQ Q04759 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHKA P35790 1/20 0.41
PRKCI P41743 1/20 0.40
AURKA O14965 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
GRK5 P34947 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL10137258 0.86 KDM4E (0.38) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL12249821 0.82 ENPP2 (0.41) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL13561376 0.81 CHKA (0.53) CHKAPRKCIKDM4EALDH1A1RAB9A
SCHEMBL25459998 0.75 PRKCI (0.55) CYP3A4CHKAPRKCIKDM4EALDH1A1
SCHEMBL12530002 0.74 ENPP2 (0.46) ROCK1ROCK2CHKAPRKCIKDM4E
SCHEMBL1108034 0.73 ALDH1A1 (0.66) ROCK1ROCK2PRKACAPRKXGSK3A
Hydrochloric Acid SCHEMBL7166354 0.73 ALDH1A1 (0.66) ROCK1ROCK2PRKACAPRKXGSK3A
SCHEMBL25459980 0.72 KDM4E (0.45) CHKAPRKCIKDM4EALDH1A1RAB9A
SCHEMBL25460377 0.72 KDM4E (0.65) CHKAPRKCIKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL28933331 0.72 FOLH1 (0.45) ROCK1ROCK2PRKACAPRKXGSK3A

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 ROCK1 3630/4885ROCK2 3385/4885CYP3A4 922/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB ROCK1 3630/4885ROCK2 3385/4885CYP3A4 922/4885

“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.