SCHEMBL17064128

SCHEMBL17064128

Cc1cc(C)c(I)c(C)c1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
F2 P00734 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
PTPN1 P18031 1/20 0.31
ACP1 P24666 1/20 0.31
CDC25B P30305 1/20 0.31
ATM Q13315 1/20 0.31
PKM P14618 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 2/20 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
SCHEMBL5708888 0.75 SMN1; SMN2 (0.39) KDM4EALDH1A1GAAPOLBL3MBTL1
SCHEMBL14021448 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAL3MBTL1KMT2A
SCHEMBL2581832 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAL3MBTL1KMT2A
SCHEMBL5708919 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAL3MBTL1KMT2A
SCHEMBL17064185 0.72 FABP3 (0.33)
SCHEMBL17064148 0.71 SMN1; SMN2 (0.35) KDM4EALDH1A1GAAKMT2AHTT
SCHEMBL9889189 0.69 PTPN1 (0.32) KDM4EALDH1A1PTPN1ACP1CDC25B
SCHEMBL21081502 0.69 PTPN1 (0.32) KDM4EALDH1A1PTPN1ACP1CDC25B
SCHEMBL760815 0.68 RAPGEF4 (0.45) KDM4EALDH1A1GAAMAPTTDP1
SCHEMBL17064151 0.68 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1HTTTDP1

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 KDM4E 1312/4885ALDH1A1 1826/4885GAA 2016/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 KDM4E 1312/4885ALDH1A1 1826/4885GAA 2016/4885

“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.