SCHEMBL6059593

SCHEMBL6059593

C=CCCc1ccc2cc(-c3cc(F)c(-c4cc(F)c(-c5ccccc5C(F)(F)F)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
HSD11B1 P28845 3/20 0.35
TRPA1 O75762 5/20 0.35
BACE1 P56817 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KIF11 P52732 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
TEK Q02763 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
S1PR1 P21453 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
AR P10275 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
SCHEMBL3158809 0.97 KIF11 (0.37) FFAR1HSD11B1TRPA1BACE1TRPM8
SCHEMBL6058765 0.93 ALOX5AP (0.36) FFAR1HSD11B1TRPA1BACE1TRPM8
SCHEMBL6059401 0.92 AKR1C3 (0.36) FFAR1HSD11B1TRPA1BACE1TRPM8
SCHEMBL3167128 0.88 KIF11 (0.41) BACE1FFAR4KIF11
SCHEMBL3166213 0.87 FFAR4 (0.35) TRPA1FFAR4KIF11
SCHEMBL3159005 0.87 KIF11 (0.38) FFAR1HSD11B1TRPA1BACE1TRPM8
SCHEMBL6059654 0.86 ALOX5AP (0.39) FFAR1HSD11B1TRPA1BACE1TRPM8
SCHEMBL6060072 0.86 TRPA1 (0.35) FFAR1HSD11B1TRPA1ALOX5APFEN1
SCHEMBL3159341 0.85 HSD11B1 (0.34) FFAR1HSD11B1TRPA1BACE1KIF11
SCHEMBL3167135 0.84 KIF11 (0.48) KIF11

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 FFAR1 4057/4885HSD11B1 937/4885TRPA1 87/4885

“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.