SCHEMBL3713259

SCHEMBL3713259

COc1ccc([I+]C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 4/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL3705561 0.81 GLA (0.48) GLANPSR1ALDH1A1HSD17B10CASP1
SCHEMBL3709910 0.81 GLA (0.38) GLANPSR1ALDH1A1HSD17B10KMT2A
SCHEMBL3703876 0.79 ALDH1A1 (0.41) GLANPSR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL3708994 0.79 ALDH1A1 (0.41) GLANPSR1ALDH1A1L3MBTL1KMT2A
SCHEMBL3708565 0.75 HSD17B10 (0.40) GLANPSR1ALDH1A1HSD17B10CA12
SCHEMBL15569868 0.75 NPSR1 (1.00) GLANPSR1ALDH1A1L3MBTL1KMT2A
SCHEMBL3080438 0.73 NPSR1 (0.73) GLANPSR1KMT2AKDM4E
SCHEMBL7026923 0.72 GLA (0.48) GLANPSR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL3712859 0.71 ALDH1A1 (0.44) GLANPSR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL3945233 0.66 GLA (0.62) GLANPSR1ALDH1A1KMT2AKDM4E

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 952/4885ALDH1A1 842/4885

“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.