SCHEMBL10136985

SCHEMBL10136985

C=Cc1ccc(C[n+]2cccc3c4cccnc4ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.35
CHKA P35790 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
XDH P47989 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14765573 0.84 KDM4E (0.64) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL13063333 0.75 KDM4E (0.46) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL10168651 0.73 KDM4E (0.44) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL10136994 0.73 KDM4E (0.44) KDM4ERAB9AALDH1A1NPC1MITF
Hydrochloric Acid SCHEMBL28823664 0.73 MEN1 (0.57) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL13996862 0.72 KDM4E (0.59) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL10136969 0.71 KDM4E (0.41) KDM4ERAB9AALDH1A1NPC1MITF
SCHEMBL10136900 0.68 KDM4E (0.80) KDM4ERAB9AALDH1A1NPC1MITF
Hydrochloric Acid SCHEMBL17159954 0.68 MEN1 (0.44) ALDH1A1GAACA1CA2POLB
SCHEMBL12530151 0.67 KDM4E (0.45) KDM4ERAB9AALDH1A1NPC1MITF

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-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

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 KDM4E 2991/4885RAB9A 2858/4885ALDH1A1 1006/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB KDM4E 2991/4885RAB9A 2858/4885ALDH1A1 1006/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB KDM4E 2991/4885RAB9A 2858/4885ALDH1A1 1006/4885

“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.