SCHEMBL6058869

SCHEMBL6058869

C=CCCc1ccc(-c2ccc3c(F)c(-c4ccc(OC(F)(F)F)cc4)ccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
SERPINE1 P05121 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CHRM5 P08912 2/20 0.33
PPARA Q07869 1/20 0.33
DAO P14920 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM2 Q14416 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SCN5A Q14524 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3162291 0.94 CHRM5 (0.33) FFAR4FFAR1SERPINE1GPR84CHRM5
SCHEMBL3161731 0.93 FFAR4 (0.33) FFAR4FFAR1SERPINE1GPR84CHRM5
SCHEMBL6059490 0.89 ESR1 (0.40) ESR1ESR2CYP11B1
SCHEMBL3158305 0.89 ALOX5AP (0.39) FFAR4FFAR1GPR84GRM2CYP11B1
SCHEMBL3159149 0.87 ESR1 (0.32) ESR1ESR2
SCHEMBL3153870 0.87 MAOB (0.39) FFAR1ESR1ESR2GRM2CYP11B1
SCHEMBL3166712 0.86 ALOX5AP (0.32) ESR1ESR2
SCHEMBL6060182 0.86 MAOB (0.35) ESR1ESR2
SCHEMBL3954722 0.85 ALOX5AP (0.32) GPR84DAOESR1GRM2CYP11B1
SCHEMBL3167499 0.85 MAOB (0.39) CHRM5ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FFAR4 3795/4885FFAR1 4057/4885SERPINE1 2670/4885

“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.