SCHEMBL17064176

SCHEMBL17064176

COc1cc(Br)ccc1I.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL30016613 0.76 TSHR (0.42) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL2836741 0.76 TSHR (0.42) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL17064151 0.72 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1KDM4ECASP1
SCHEMBL17064142 0.69 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1KDM4EGAA
SCHEMBL5708888 0.67 SMN1; SMN2 (0.39) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL17064128 0.65 KDM4E (0.34) ALDH1A1HPGDKDM4EL3MBTL1GAA
SCHEMBL5708919 0.65 SMN1; SMN2 (0.38) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL2581832 0.65 SMN1; SMN2 (0.38) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL14021448 0.65 SMN1; SMN2 (0.38) ALDH1A1HPGDNPSR1KDM4EL3MBTL1
SCHEMBL17064131 0.65 ALDH1A1 (0.33) ALDH1A1HPGDNPSR1HTTTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114117-B1 IODINE(III)-MEDIATED RADIOFLUORINATION MASSACHUSETTS GEN HOSPITAL (US) 2019-10-02 EP disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
EP-3114117-A1 IODINE(III)-MEDIATED RADIOFLUORINATION The General Hospital Corporation (US) 2017-01-11 EP disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 US disclosed
WO-2015134923-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2015-09-11 WO disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 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-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 ALDH1A1 1826/4885HPGD 4373/4885NPSR1 2810/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 ALDH1A1 1826/4885HPGD 4373/4885NPSR1 2810/4885

“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.