SCHEMBL3709910

SCHEMBL3709910

Cc1ccc([I+]C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL3708994 0.84 ALDH1A1 (0.41) GLANPSR1BACE1ALDH1A1GAA
SCHEMBL3703876 0.84 ALDH1A1 (0.41) GLANPSR1BACE1ALDH1A1HSD17B10
SCHEMBL3713259 0.81 GLA (0.60) GLANPSR1ALDH1A1ELANEPRTN3
SCHEMBL3708565 0.80 HSD17B10 (0.40) GLANPSR1ALDH1A1GAAMAPT
SCHEMBL3696453 0.73 NPC1 (0.35) GLANPSR1ALDH1A1GAAMAPT
SCHEMBL9193771 0.73 GLA (0.69) GLANPSR1ALDH1A1GAAMAPT
SCHEMBL3705561 0.69 GLA (0.48) GLANPSR1ALDH1A1NPC1RAB9A
SCHEMBL7027916 0.69 CACNA1B (0.33) CACNA1BAPBA1ALDH1A1GAAMAPT
SCHEMBL13561753 0.68 BACE1 (0.68) NPSR1BACE1ALDH1A1GAAMAPT
SCHEMBL12241767 0.66 GLA (0.44) GLANPSR1GAALMNA

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-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
US-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 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 (1 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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 GLA 1209/4885NPSR1 952/4885CACNA1B 2443/4885

“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.