SCHEMBL6059636

SCHEMBL6059636

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
GRM2 Q14416 1/20 0.36
SERPINE1 P05121 1/20 0.36
MPL P40238 2/20 0.36
CHRNA7 P36544 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TSHR P16473 1/20 0.34
DAO P14920 1/20 0.34
PPARA Q07869 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL3170923 0.94 GSK3B (0.37) GSK3BFFAR4FFAR1GRM2SERPINE1
SCHEMBL6059254 0.93 MPL (0.41) GSK3BFFAR4FFAR1GRM2MPL
SCHEMBL3153576 0.93 DAO (0.37) GSK3BFFAR4FFAR1GRM2MPL
SCHEMBL3162399 0.93 GRM2 (0.37) GSK3BFFAR4FFAR1GRM2MPL
SCHEMBL6059637 0.92 RARB (0.40) GSK3BMPL
SCHEMBL6059303 0.92 GSK3B (0.38) GSK3BGRM2SERPINE1ESR1ESR2
SCHEMBL6060226 0.91 RARB (0.42) GSK3BMPLTSHR
SCHEMBL6059418 0.91 RARB (0.42) GSK3BMPLTSHR
SCHEMBL5684909 0.88 GRM2 (0.36) GSK3BFFAR4FFAR1GRM2MPL
SCHEMBL3165777 0.88 GRM2 (0.38) GSK3BGRM2SERPINE1TSHRPPARA

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 5 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-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 GSK3B 523/4885FFAR4 3795/4885FFAR1 4057/4885

“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.