SCHEMBL6284487

SCHEMBL6284487

NCCc1cc(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAD52 P43351 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAPDH P04406 1/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AGO2 Q9UKV8 1/20 0.43
HTR2A P28223 2/20 0.36
MPO P05164 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HTR1A P08908 1/20 0.35

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
Hydrochloric Acid SCHEMBL12818395 0.98 KMT2A (0.46) TAAR1KMT2AMEN1RAD52RECQL
SCHEMBL29661802 0.85 TAAR1 (0.30) TAAR1KMT2AMEN1RAD52RECQL
SCHEMBL6283815 0.84 MPO (0.41) TAAR1MPONOS3NOS1NOS2
SCHEMBL3972407 0.82 LOXL2 (0.37) TAAR1KMT2AMEN1RAD52RECQL
SCHEMBL715831 0.79 TAAR1 (0.41) TAAR1KMT2AMEN1RAD52RECQL
SCHEMBL719068 0.79 TAAR1 (0.41) TAAR1KMT2AMEN1RAD52RECQL
SCHEMBL6317338 0.78 HDAC3 (0.31)
SCHEMBL17552664 0.78
SCHEMBL27959397 0.78
SCHEMBL28156868 0.78 HDAC3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090236591-A1 N,N'-BIS(FLUOROPHENYLALKYL)-SUBSTITUTED PERYLENE-3,4:9,10-TETRACARBOXIMIDES, AND THE PREPARATION AND USE THEREOF BASF SE (DE) 2009-09-24 US disclosed
US-20090236591-A1 N,N'-BIS(FLUOROPHENYLALKYL)-SUBSTITUTED PERYLENE-3,4:9,10-TETRACARBOXIMIDES, AND THE PREPARATION AND USE THEREOF BASF SE (DE) 2009-09-24 US disclosed
US-6919291-B2 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-19 US disclosed
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-10 US disclosed
EP-1349653-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-10-08 EP disclosed
WO-2002036639-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-05-10 WO disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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 (2 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-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 TAAR1 2168/4885KMT2A 2997/4885MEN1 1928/4885
US-20090236591-A1 N,N'-BIS(FLUOROPHENYLALKYL)-SUBSTITUTED PERYLENE-3,4:9,10-TETRACARBOXIMIDES, AND THE PREPARATION AND USE THEREOF SLC1A3, SLC43A3, SLC9A3 TAAR1 1732/4885KMT2A 3330/4885MEN1 742/4885

“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.