SCHEMBL17064131

SCHEMBL17064131

COc1ncc(I)c(OC)n1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 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
SCHEMBL1471865 0.77 QPCT (0.39) ALDH1A1HPGDNPSR1CYP1A2
SCHEMBL29809151 0.77 QPCT (0.39) ALDH1A1HPGDNPSR1CYP1A2
SCHEMBL17064151 0.68 ALDH1A1 (0.54) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL5708888 0.66 SMN1; SMN2 (0.39) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL17064176 0.65 ALDH1A1 (0.38) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL17064128 0.64 KDM4E (0.34) ALDH1A1HTTHPGDTDP1
SCHEMBL14021448 0.64 SMN1; SMN2 (0.38) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL2581832 0.64 SMN1; SMN2 (0.38) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL5708919 0.64 SMN1; SMN2 (0.38) ALDH1A1HTTHPGDTDP1NPSR1
SCHEMBL29079886 0.63 PLAU (0.37) NPSR1

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 1826/4885HTT 817/4885HPGD 4373/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 ALDH1A1 1826/4885HTT 817/4885HPGD 4373/4885

“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.