SCHEMBL1248411

SCHEMBL1248411

CCCCP(c1ccccc1)c1ccccc1.CCCCP(c1ccccc1)c1ccccc1.Cl[Ni]Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
LTA4H P09960 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3394776 1.00 TDP1 (0.34) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL49617 0.92 TDP1 (0.38) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL6281632 0.90 TDP1 (0.35) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL28811735 0.90 TDP1 (0.35) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL9414101 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL10585317 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28497176 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28975804 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Bromide SCHEMBL1577209 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL30514704 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2

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
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 EP 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-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM TDP1 1093/4885TSHR 3402/4885LTA4H 1821/4885

“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.