SCHEMBL3159958

SCHEMBL3159958

CCCc1ccc2c(F)c(-c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.36
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
CYP17A1 P05093 1/20 0.34
S1PR1 P21453 1/20 0.34
NAAA Q02083 1/20 0.33
MPL P40238 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KIF11 P52732 1/20 0.32
CACNA1H O95180 2/20 0.32
PDE2A O00408 1/20 0.32
FAAH O00519 1/20 0.32
CASR P41180 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
GRM2 Q14416 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
SCHEMBL3168178 0.96 NCEH1 (0.38) NCEH1CTSKCTSSNAAAALOX5
SCHEMBL3167162 0.94 MPL (0.38) CYP17A1S1PR1MPL
SCHEMBL3157881 0.94 NCEH1 (0.36) NCEH1CTSKCTSSNAAAALOX5
SCHEMBL3153961 0.94 CTSK (0.34) NCEH1CTSKCTSSCYP17A1S1PR1
SCHEMBL3165899 0.94 NCEH1 (0.36) NCEH1CTSKCTSSMPLALOX5
SCHEMBL3166843 0.93 RARB (0.40) CYP17A1S1PR1MPL
SCHEMBL3165136 0.92 RARB (0.42) S1PR1MPLFAAH
SCHEMBL3158000 0.92 RARB (0.42) S1PR1MPLFAAH
SCHEMBL3171251 0.92 NCEH1 (0.35) NCEH1CTSKCTSSMPLALOX5
SCHEMBL5687434 0.91 NCEH1 (0.36) NCEH1CTSKCTSSNAAAALOX5

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 1520/4885CTSK 2504/4885CTSS 3564/4885

“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.