SCHEMBL10137204

SCHEMBL10137204

C=C(C)C(=O)NCCc1cc[n+](Cc2cc(C[n+]3ccc(-c4cc[n+](Cc5cc(C[n+]6ccccc6)cc(B(O)O)c5)cc4)cc3)cc(OBO)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
PLAAT3 P53816 1/20 0.31
PLAAT5 Q96KN8 1/20 0.31
PLAAT2 Q9NWW9 1/20 0.31
PLAAT4 Q9UL19 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5953857 0.96 BCHE (0.30) BCHEACHESMN1; SMN2
SCHEMBL12530098 0.91 ALDH1A1 (0.36) BCHEACHEPLAAT3PLAAT5PLAAT2
SCHEMBL14518742 0.89 NPC1 (0.32) BCHEACHEPLAAT3PLAAT5PLAAT2
SCHEMBL2737198 0.87 ALDH1A1 (0.33) BCHEACHEPLAAT3PLAAT5PLAAT2
SCHEMBL10137208 0.79 NPC1 (0.34) BCHEACHEPLAAT5PLAAT4NPC1
SCHEMBL13996865 0.79 BCHE (0.33) BCHEACHE
SCHEMBL10137077 0.73
SCHEMBL2737184 0.72 KDM4E (0.42) BCHEACHEALDH1A1RAB9A
SCHEMBL12530105 0.71 HSP90AA1 (0.42) BCHEACHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL5953337 0.70 RAB9A (0.38) BCHEACHENPC1ALDH1A1RAB9A

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 BCHE 277/4885ACHE 705/4885PLAAT3 4859/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB BCHE 277/4885ACHE 705/4885PLAAT3 4859/4885

“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.