SCHEMBL12530002

SCHEMBL12530002

OB(O)c1cccc(C[n+]2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
CHKA P35790 6/20 0.43
PRKCI P41743 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
MGLL Q99685 1/20 0.40
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
PRMT6 Q96LA8 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL13092015 0.91 ENPP2 (0.55) ENPP2CHKAKDM4EALDH1A1RAB9A
SCHEMBL13561376 0.85 CHKA (0.53) CHKAPRKCIKDM4EALDH1A1RAB9A
SCHEMBL12530382 0.84 KDM4E (0.40) CHKAPRKCIKDM4EALDH1A1RAB9A
SCHEMBL19696374 0.79 CHKA (0.46) ENPP2CHKAKDM4EALDH1A1RAB9A
SCHEMBL12530089 0.79 ENPP2 (0.42) ENPP2CHKAKDM4EALDH1A1RAB9A
SCHEMBL25459998 0.78 PRKCI (0.55) CHKAPRKCIKDM4EALDH1A1RAB9A
SCHEMBL12249821 0.78 ENPP2 (0.41) ENPP2CHKAKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7166354 0.76 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9AROCK2
SCHEMBL1108034 0.76 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9AROCK2
SCHEMBL25459980 0.75 KDM4E (0.45) CHKAPRKCIKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170219521-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES TERUMO KABUSHIKI KAISHA (JP) 2017-08-03 US disclosed
US-20170219521-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES TERUMO KABUSHIKI KAISHA (JP) 2017-08-03 US disclosed
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 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-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 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

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-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB ENPP2 3653/4885CHKA 4685/4885PRKCI 3457/4885
US-20170219521-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES SPR, BLVRB, XDH ENPP2 1332/4885CHKA 3713/4885PRKCI 3077/4885

“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.