SCHEMBL10137237

SCHEMBL10137237

C=Cc1cc[n+](Cc2cc(C[n+]3ccc(-c4cc[n+](Cc5cc(C[n+]6ccc(C=C)cc6)cc(B(O)O)c5)cc4)cc3)cc(B(O)O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.36
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
ENPP2 Q13822 1/20 0.30

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
SCHEMBL10137077 0.88
SCHEMBL14002782 0.84 LPL (0.41) CHKAKDM4EALDH1A1RAB9A
SCHEMBL12530089 0.82 ENPP2 (0.42) CHKAKDM4EALDH1A1RAB9AENPP2
SCHEMBL2737184 0.81 KDM4E (0.42) CHKAKDM4EALDH1A1RAB9AENPP2
SCHEMBL13824331 0.80 CHKA (0.38) CHKAHDAC8KDM4EALDH1A1RAB9A
SCHEMBL19696374 0.78 CHKA (0.46) CHKAKDM4EALDH1A1RAB9AENPP2
SCHEMBL24038376 0.76 CHKA (0.49) CHKAKDM4EALDH1A1RAB9A
SCHEMBL12910774 0.76 CHKA (0.49) CHKAKDM4EALDH1A1RAB9A
SCHEMBL24044011 0.74 CA1 (0.44) CHKAKDM4EALDH1A1RAB9A
SCHEMBL12530382 0.74 KDM4E (0.40) CHKAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-20090148344-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-20090149656-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 (3 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 CHKA 4685/4885HDAC8 4023/4885KDM4E 2991/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CHKA 4685/4885HDAC8 4023/4885KDM4E 2991/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CHKA 4685/4885HDAC8 4023/4885KDM4E 2991/4885

“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.