SCHEMBL6059663

SCHEMBL6059663

C=CCCc1ccc2cc(-c3ccc(-c4cccc(F)c4-c4ccc(C(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
MAOB P27338 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGES O14684 1/20 0.32
AGXT P21549 1/20 0.31
GRM2 Q14416 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
FFAR1 O14842 1/20 0.30
APP P05067 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
SCHEMBL3167137 0.92 CHRM5 (0.34) CHRM5MAOBFFAR4PTGESAGXT
SCHEMBL3159023 0.92 MAOB (0.37) CHRM5MAOBFFAR4PTGESAGXT
SCHEMBL6059569 0.89 CHRM5 (0.32) CHRM5
SCHEMBL3965672 0.88 CHRM5 (0.34) CHRM5MAOBPTGESPSEN1PSEN2
SCHEMBL3167473 0.88 MAOB (0.32) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL4238143 0.87 APP (0.40) MAOBGRM2PSEN1PSEN2APH1B
SCHEMBL3158648 0.86 MAOB (0.37) CHRM5MAOBPTGESAGXT
SCHEMBL3167377 0.85 MAOB (0.38) MAOBAGXTFFAR1
SCHEMBL3152874 0.84 CHRM5 (0.33) CHRM5MAOBGRM2PSEN1PSEN2
SCHEMBL6059622 0.84 CHRM5 (0.32) CHRM5

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
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US 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 CHRM5 1669/4885MAOB 3700/4885FFAR4 3795/4885

“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.