SCHEMBL4800915

SCHEMBL4800915

Fc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.48
PAX8 Q06710 1/20 0.44
MAOB P27338 4/20 0.44
APP P05067 1/20 0.44
GPR3 P46089 1/20 0.43
SCN5A Q14524 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL498377 0.90 ALDH1A1 (0.56) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL18380932 0.83 SCN5A (0.56) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2341418 0.82 MEN1 (0.42) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL25144902 0.82 CYP1A2 (0.43) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2037249 0.79 ALDH1A1 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7026279 0.79 ALDH1A1 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9682 0.79 MAPT (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1710060 0.79 NPC1 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2259946 0.79 CA12 (0.50) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9458453 0.79 APP (0.50) MAPTMEN1LMNAKMT2ASMN1; SMN2

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-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
US-20040220409-A1 Flecainide synthesis MCDANIEL WILLIAM C 2004-11-04 US disclosed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO disclosed
US-4816596-A ETHERIFICATION OR SULFIDING A PHENOL OR THIOPHENOL RHONE-POLENC SPECIALITES CHIMOUES (FR) 1989-03-28 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 (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-20040220409-A1 Flecainide synthesis KCNH1, CYP3A43, CYP2F1 MAPT 4170/4885MEN1 3933/4885LMNA 2760/4885

“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.