SCHEMBL12377929

SCHEMBL12377929

CC(=O)c1cccc([131I])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
CREBBP Q92793 1/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
KIF11 P52732 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
S100A4 P26447 1/20 0.42

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
SCHEMBL279656 0.85 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL30480313 0.79 RAB9A (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10389918 0.78 MAP4K4 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL4958273 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8377993 0.78 TDP1 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
Sulfuric Acid SCHEMBL28400618 0.76 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL42942 0.76 CA12 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL29902348 0.76 CA12 (0.58) ALDH1A1KMT2AMEN1TDP1CREBBP
SCHEMBL2642425 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL29639739 0.76 PARP1 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1

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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-08-25 US disclosed
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-04-07 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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, NGLY1, GPR119 ALDH1A1 4779/4885KMT2A 1068/4885MEN1 338/4885
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, GPR119, NPY1R ALDH1A1 3077/4885KMT2A 1215/4885MEN1 1340/4885

“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.