SCHEMBL17070601

SCHEMBL17070601

COC(=O)c1cccc([18F])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
LMNA P02545 2/20 0.69
MRGPRX4 Q96LA9 1/20 0.63
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TSHR P16473 1/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PARP1 P09874 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
ESR1 P03372 1/20 0.56

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
SCHEMBL1056526 1.00 KMT2A (0.69) KMT2AMEN1LMNAMRGPRX4CES2
SCHEMBL29570653 1.00 KMT2A (0.69) KMT2AMEN1LMNAMRGPRX4CES2
Hydrochloric Acid SCHEMBL30779154 0.98 KMT2A (0.67) KMT2AMEN1LMNAMRGPRX4CES2
SCHEMBL27403802 0.91 KMT2A (0.60) KMT2AMEN1LMNAMRGPRX4CES2
SCHEMBL7470029 0.90 KMT2A (0.58) KMT2AMEN1LMNAMRGPRX4CES2
SCHEMBL7829981 0.89 ERN1 (0.58) KMT2AMEN1LMNAMRGPRX4RAB9A
SCHEMBL30790370 0.89 ERN1 (0.58) KMT2AMEN1LMNAMRGPRX4RAB9A
Methyl Benzoate SCHEMBL27635675 0.88 TSHR (0.63) KMT2AMEN1LMNAMRGPRX4CES2
SCHEMBL4939679 0.86 MRGPRX4 (0.66) KMT2AMEN1LMNAMRGPRX4RAB9A
SCHEMBL16955045 0.86 NPC1 (0.58) KMT2AMEN1LMNAMRGPRX4CES2

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
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-02-09 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 (3 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 KMT2A 1626/4885MEN1 183/4885LMNA 2586/4885
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS SOD1, TPO, FLI1 KMT2A 3062/4885MEN1 141/4885LMNA 4678/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 KMT2A 1626/4885MEN1 183/4885LMNA 2586/4885

“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.