SCHEMBL6284401

SCHEMBL6284401

Nc1ccccc1-c1cc(F)cc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 2/20 0.40
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KCNN4 O15554 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 4/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL399629 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10KCNN4ALOX5AP
SCHEMBL400394 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10KCNN4ALOX5AP
SCHEMBL398474 0.77 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10KCNN4KDM4E
SCHEMBL3787023 0.77 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10KCNN4KDM4E
SCHEMBL31435757 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1HSD17B10KCNN4KDM4E
SCHEMBL977502 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6518467 0.73 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10HSD17B1HSD17B2
SCHEMBL397863 0.73 ALDH1A1 (0.68) ALDH1A1L3MBTL1HSD17B10KCNN4ALOX5AP
SCHEMBL7044111 0.72 METAP2 (0.44) ALDH1A1HSD17B10DPP4MAPTHPGD
SCHEMBL2881264 0.72 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10HSD17B1HSD17B2

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
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

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-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 ALDH1A1 3691/4885L3MBTL1 3343/4885HSD17B10 3121/4885

“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.