SCHEMBL17064159

SCHEMBL17064159

CC(C)CC1(C)OC(=O)CC(=O)O1.Ic1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
ELANE P08246 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PTGS2 P35354 3/20 0.31
PTGS1 P23219 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
PPARD Q03181 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL17064143 0.81 NPC1 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14021455 0.79 PIK3CD (0.36)
SCHEMBL17064150 0.78 MMP2 (0.44) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL17064154 0.77 MMP2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL17064155 0.74 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17064149 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL17064140 0.73 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL16655720 0.67 HSD11B1 (0.33) KMT2AALDH1A1PTGS2
SCHEMBL18805033 0.66 ELANE (0.42) ALDH1A1HTTL3MBTL1ELANEPTGS2
SCHEMBL24029558 0.64 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPT

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 4649/4885NPC1 974/4885RAB9A 448/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885NPC1 974/4885RAB9A 448/4885

“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.