SCHEMBL3168178

SCHEMBL3168178

CCCc1ccc2c(F)c(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.38
ALOX5 P09917 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GRM2 Q14416 2/20 0.34
PDE2A O00408 1/20 0.33
CACNA1H O95180 2/20 0.33
FAAH O00519 1/20 0.32
PDK2 Q15119 1/20 0.32
EPHX2 P34913 1/20 0.32
NAAA Q02083 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL3165899 0.98 NCEH1 (0.36) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL3157881 0.98 NCEH1 (0.36) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL5687434 0.96 NCEH1 (0.36) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL3159958 0.96 NCEH1 (0.36) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL3171251 0.94 NCEH1 (0.35) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL3153961 0.93 CTSK (0.34) NCEH1ALOX5GABRA1GABRB2CTSK
SCHEMBL3161399 0.93 MPL (0.37) NCEH1CTSKCTSSALOX5APFEN1
SCHEMBL3165313 0.92 RARB (0.37) CTSKCTSSALOX5APFEN1GRM2
SCHEMBL3172582 0.91 RARB (0.39) FAAH
SCHEMBL3173032 0.91 RARB (0.39) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
EP-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 NCEH1 1520/4885ALOX5 359/4885GABRA1 4597/4885

“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.