SCHEMBL17064155

SCHEMBL17064155

Ic1ccc(-c2ccccc2)cc1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HPGD P15428 2/20 0.35
PDE7A Q13946 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33
CDC25B P30305 1/20 0.33
CTRC Q99895 1/20 0.33
TDP2 O95551 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL17064140 0.98 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17064149 0.97 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17064143 0.85 NPC1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL17064132 0.82 ITGA1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL17064154 0.78 MMP2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL17065551 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18788907 0.78 APP (0.51) SLC6A2SLC6A3HPGDPTGS1PTGS2
SCHEMBL18788882 0.77 APP (0.50)
SCHEMBL18788898 0.77 APP (0.50)
SCHEMBL17064151 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHTTSLC6A4SLC6A3

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 5 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
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
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 SMN1; SMN2 4649/4885ALDH1A1 1826/4885KDM4E 1312/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885ALDH1A1 1826/4885KDM4E 1312/4885

“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.