SCHEMBL17064136

SCHEMBL17064136

COCCc1ccc(I)cc1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HTT P42858 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TSHR P16473 1/20 0.30
NR3C1 P04150 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRA1A P35348 1/20 0.30
CYP2J2 P51589 1/20 0.30
PDE4D Q08499 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL17064151 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1HTTHPGDTDP1
SCHEMBL8082751 0.75 APP (0.44) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL17064160 0.72 SMN1; SMN2 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL18788907 0.71 APP (0.51) HPGD
SCHEMBL11103330 0.70 ACACB (0.42) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL18788898 0.70 APP (0.50)
SCHEMBL18788882 0.70 APP (0.50)
SCHEMBL17064140 0.70 SMN1; SMN2 (0.49) ALDH1A1NPSR1HTTHPGDTDP1
SCHEMBL5708888 0.68 SMN1; SMN2 (0.39) ALDH1A1NPSR1HTTCRHBPCRHR2
SCHEMBL17064132 0.67 ITGA1 (0.42) ALDH1A1NPSR1HPGDTDP1SMN1; SMN2

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 1826/4885NPSR1 2810/4885HTT 817/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 ALDH1A1 1826/4885NPSR1 2810/4885HTT 817/4885

“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.