SCHEMBL4284174

SCHEMBL4284174

Fc1cc(C(F)(F)F)cnc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.52
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LRRK2 Q5S007 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A9 P48067 1/20 0.39
HPGD P15428 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4160021 0.85 MRGPRX4 (0.52) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL8431628 0.85 MRGPRX4 (0.52) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL9823873 0.84 MRGPRX4 (0.42) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL30104807 0.84 MRGPRX4 (0.51) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL6743790 0.84 MRGPRX4 (0.71) MRGPRX4ALDH1A1MEN1KMT2ATRPM8
SCHEMBL7916623 0.84 MRGPRX4 (0.51) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL31730474 0.80 MRGPRX4 (0.51) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL4146898 0.80 MRGPRX4 (0.51) MRGPRX4ALDH1A1MEN1KMT2ALRRK2
SCHEMBL2287859 0.78 SLC6A4 (0.56) MRGPRX4ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL15969101 0.78 MAOB (0.46) ALDH1A1LRRK2SLC6A4HPGDL3MBTL1

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
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 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-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 MRGPRX4 1467/4885ALDH1A1 171/4885MEN1 3968/4885

“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.