SCHEMBL3190747

SCHEMBL3190747

CCCc1ccc2cc(O)c(F)c(F)c2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.42
TYR P14679 4/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCI P41743 1/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
BCHE P06276 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL18220538 0.84 CTSL (0.38) HMGCRTYRMAPTALOX5MEN1
SCHEMBL7761403 0.76 PRKCI (0.47) HMGCRTYRMAPTALOX5MEN1
SCHEMBL1249490 0.76 MPL (0.43) ALOX5CNR1CNR2
SCHEMBL20111275 0.75 HMGCR (0.41) HMGCRTYRMAPTALOX5MEN1
SCHEMBL17487399 0.74 NOS1 (0.33) CTSLCTSSCTSK
SCHEMBL17487398 0.74 NOS1 (0.33) CTSLCTSSCTSK
SCHEMBL5510375 0.74 ESR1 (0.42) MAPTMEN1TP53CYP3A4ALOX15
SCHEMBL3179945 0.73 MAPT (0.37) MAPTMEN1TP53TSHRHTT
SCHEMBL21299210 0.72 PRKCI (0.38) HMGCRTYRMAPTALOX5MEN1
SCHEMBL3179887 0.72 ALOX5 (0.40) MAPTALOX5MEN1TSHRKMT2A

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-1852411-B1 TRIFLUORONAPHTHALENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-11-10 EP disclosed
US-7662442-B2 Trifluoronaphthalene derivative and liquid crystal composition containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-02-16 US disclosed
US-20090121186-A1 TRIFLUORONAPHTHALENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-05-14 US disclosed
EP-1852411-A1 TRIFLUORONAPHTHALENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-11-07 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-20090121186-A1 TRIFLUORONAPHTHALENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME TCF4, DVL1, TCF12 HMGCR 2909/4885TYR 1799/4885MAPT 507/4885

“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.