SCHEMBL17064165

SCHEMBL17064165

Cc1ccc([N+](=O)[O-])cc1I.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ HTT P42858 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL30492204 0.78 TSHR (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL2314016 0.78 TSHR (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7838821 0.71 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9640742 0.71 ALDH1A1 (0.33) ALDH1A1TSHRTDP1CYP3A4SMN1; SMN2
SCHEMBL1749524 0.70 MAPT (0.51) ALDH1A1TSHRTDP1MALT1KMT2A
SCHEMBL17064128 0.70 KDM4E (0.34) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL9641085 0.68 TSHR (0.45) ALDH1A1TSHRL3MBTL1CYP3A4HTT
SCHEMBL5708888 0.66 SMN1; SMN2 (0.39) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL9640741 0.66 HSD17B10 (0.39) ALDH1A1TDP1KMT2AMAPTLMNA
SCHEMBL527700 0.65 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1826/4885TSHR 24/4885TDP1 1940/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 ALDH1A1 1826/4885TSHR 24/4885TDP1 1940/4885

“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.

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