SCHEMBL3164385

SCHEMBL3164385

CCCc1ccc2c(F)c(-c3ccc(-c4ccc(OC(F)F)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALOX5 P09917 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GRM2 Q14416 2/20 0.33
GRIN2B Q13224 1/20 0.32
RARB P10826 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CACNA1H O95180 1/20 0.31
MPL P40238 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL3158421 0.98 NCEH1 (0.38) NCEH1S1PR1S1PR3S1PR5ALOX5
SCHEMBL3162421 0.96 NCEH1 (0.36) NCEH1S1PR1S1PR3S1PR5ALOX5
SCHEMBL3168085 0.94 RARB (0.36) NCEH1S1PR1S1PR3S1PR5GRM2
SCHEMBL3168016 0.94 NCEH1 (0.36) NCEH1S1PR1S1PR3S1PR5ALOX5
SCHEMBL3162825 0.93 RARB (0.40) NCEH1S1PR1S1PR3S1PR5GRM2
SCHEMBL3153023 0.92 RARB (0.42) S1PR1S1PR3S1PR5RARBMPL
SCHEMBL3161041 0.92 RARB (0.42) S1PR1S1PR3S1PR5RARBMPL
SCHEMBL3165987 0.92 NCEH1 (0.35) NCEH1S1PR1S1PR3S1PR5ALOX5
SCHEMBL3153918 0.91 MPL (0.37) NCEH1S1PR1S1PR3S1PR5GRM2
SCHEMBL3172072 0.91 CYP17A1 (0.34) NCEH1S1PR1S1PR3S1PR5ALOX5

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 8 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
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 1520/4885S1PR1 3877/4885S1PR3 3741/4885

“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.