SCHEMBL873957

SCHEMBL873957

CCOC(CF)C[N+](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.32
PRKD3 O94806 2/20 0.32
PRKCG P05129 2/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCI P41743 2/20 0.32
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCZ Q05513 2/20 0.32
PRKCD Q05655 2/20 0.32
PRKD1 Q15139 2/20 0.32
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL872791 0.82 PRKD3 (0.33) MEN1KMT2ACYP2C19RECQLLMNA
Fluoromethane SCHEMBL27919564 0.81 THRB (0.33) THRBMEN1KMT2ACYP2C19RECQL
SCHEMBL4745935 0.80 THRB (0.36) THRBMEN1KMT2ACYP2C19RECQL
SCHEMBL8374142 0.79
SCHEMBL873293 0.79 PRKD3 (0.39) MEN1KMT2ACYP2C19LMNAPRKD3
SCHEMBL872040 0.77
SCHEMBL24349049 0.74
SCHEMBL27916397 0.74
SCHEMBL872963 0.71 PRKD3 (0.32) MEN1KMT2ALMNAPRKD3PRKCG
SCHEMBL872303 0.71 TSHR (0.32) MEN1KMT2ACYP2C19RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130202530-A1 NOVEL RADIOTRACER IMPERIAL COLLEGE (GB) 2013-08-08 US claimed
EP-2619172-A2 NOVEL RADIOTRACER GE Healthcare UK Limited (GB) 2013-07-31 EP claimed
WO-2012040138-A2 NOVEL RADIOTRACER GE HEALTHCARE LIMITED (GB) 2012-03-29 WO claimed
CN-111225679-B Novel peptide-based cancer imaging agents 俄亥俄州创新基金会 2024-03-29 CN disclosed
US-20130202530-A1 NOVEL RADIOTRACER IMPERIAL COLLEGE (GB) 2013-08-08 US disclosed
EP-2619170-A2 ISOTOPIC CARBON CHOLINE ANALOGS GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
EP-2619171-A2 NOVEL PRECURSOR GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
EP-2619172-A2 NOVEL RADIOTRACER GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
US-20130183239-A1 ISOTOPIC CARBON CHOLINE ANALOGS IMPERIAL COLLEGE (GB) 2013-07-18 US disclosed
US-20130178653-A1 NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS IMPERIAL COLLEGE (GB) 2013-07-11 US disclosed
WO-2012040151-A2 ISOTOPIC CARBON CHOLINE ANALOGS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
WO-2012040138-A2 NOVEL RADIOTRACER GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
WO-2012040133-A2 NOVEL PRECURSOR GE HEALTHCARE LIMITED (GB) 2012-03-29 WO 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-20130178653-A1 NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS CHAT, CEPT1, SLC5A7 THRB 571/4885MEN1 117/4885KMT2A 1536/4885
US-20130183239-A1 ISOTOPIC CARBON CHOLINE ANALOGS CEPT1, CHAT, CHKB THRB 1630/4885MEN1 33/4885KMT2A 1072/4885
US-20130202530-A1 NOVEL RADIOTRACER CEPT1, SGMS1, SGMS2 THRB 1569/4885MEN1 6/4885KMT2A 2269/4885

“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.