SCHEMBL4622504

SCHEMBL4622504

C[n+]1c(F)ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.50
POLB P06746 4/20 0.42
KMT2A Q03164 4/20 0.42
BCHE P06276 4/20 0.41
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Fluoride Ion SCHEMBL4495682 0.98 ACHE (0.49) ACHEPOLBKMT2ABCHEMEN1
Trifluoromethanesulfonic Acid SCHEMBL4485013 0.83 KCNH2 (0.40) ACHE
SCHEMBL1044982 0.74 ACHE (0.47) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL30929898 0.74 ACHE (0.47) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL10789148 0.73 ACHE (0.46) ACHEPOLBKMT2ABCHEMEN1
Hydrochloric Acid SCHEMBL6339464 0.73 ACHE (0.46) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL21341559 0.73 ACHE (0.46) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL13979479 0.73 ACHE (0.46) ACHEPOLBKMT2ABCHEMEN1
Iodide SCHEMBL2031115 0.73 ACHE (0.50) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL4592722 0.73 ACHE (0.49) ACHEPOLBKMT2ABCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904425-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS Rhodia Chimie SA (FR) 2008-04-02 EP claimed
WO-2007010111-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS RHODIA CHIMIE (FR) 2007-01-25 WO claimed
US-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds RHODIA CHIMIE (FR) 2009-09-17 US disclosed
EP-1904425-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS Rhodia Chimie SA (FR) 2008-04-02 EP disclosed
WO-2007010111-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS RHODIA CHIMIE (FR) 2007-01-25 WO disclosed
WO-2007010111-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS RHODIA CHIMIE (FR) 2007-01-25 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 (1 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-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds AHR, CYP2E1, CYP2F1 ACHE 3533/4885POLB 137/4885KMT2A 614/4885

“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.