SCHEMBL17064142

SCHEMBL17064142

CC(C)Oc1ccccc1I.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 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
SCHEMBL18788902 0.76 FFAR1 (0.42) ALDH1A1NPSR1HTR1AKDM4ESMN1; SMN2
SCHEMBL18788864 0.75 FFAR1 (0.41) ALDH1A1NPSR1HPGDKDM4EMEN1
SCHEMBL12546996 0.75 IRAK4 (0.47) ALDH1A1NPSR1KDM4EIRAK4CA1
SCHEMBL17064176 0.69 ALDH1A1 (0.38) ALDH1A1NPSR1HPGDKDM4EFFAR4
SCHEMBL17064155 0.68 SMN1; SMN2 (0.50) ALDH1A1NPSR1HPGDKDM4ENPC1
SCHEMBL5708888 0.68 SMN1; SMN2 (0.39) ALDH1A1NPSR1HPGDKDM4ENPC1
SCHEMBL17064151 0.67 ALDH1A1 (0.54) ALDH1A1NPSR1HPGDKDM4EMAPK1
SCHEMBL17064140 0.67 SMN1; SMN2 (0.49) ALDH1A1NPSR1HPGDKDM4ENPC1
SCHEMBL18788884 0.67 FFAR1 (0.43) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL14021448 0.66 SMN1; SMN2 (0.38) ALDH1A1NPSR1HPGDKDM4ENPC1

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 ALDH1A1 1826/4885NPSR1 2810/4885HPGD 4373/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 ALDH1A1 1826/4885NPSR1 2810/4885HPGD 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.