SCHEMBL3159341

SCHEMBL3159341

C=CCCc1ccc2c(F)c(-c3ccc(-c4cc(F)c(-c5ccccc5C(F)(F)F)c(F)c4)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KIF11 P52732 1/20 0.33
TRPA1 O75762 1/20 0.32
USP1 O94782 6/20 0.32
WDR48 Q8TAF3 6/20 0.32
FFAR1 O14842 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
S1PR1 P21453 1/20 0.30
BACE1 P56817 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
SCHEMBL6059358 0.93 ALOX5AP (0.37) HSD11B1ALOX5APFEN1TRPA1FFAR1
SCHEMBL6060072 0.93 TRPA1 (0.35) HSD11B1ALOX5APFEN1TRPA1FFAR1
SCHEMBL3152860 0.91 ALOX5AP (0.36) HSD11B1ALOX5APFEN1KIF11TRPA1
SCHEMBL6059615 0.90 TRPA1 (0.36) HSD11B1ALOX5APFEN1TRPA1FFAR1
SCHEMBL6059559 0.88 ALOX5AP (0.39) HSD11B1ALOX5APFEN1TRPA1USP1
SCHEMBL3158809 0.88 KIF11 (0.37) HSD11B1ALOX5APFEN1KIF11TRPA1
SCHEMBL3165522 0.88 CYP11B2 (0.38) HSD11B1ALOX5APFEN1KIF11
SCHEMBL3152866 0.87 KIF11 (0.40) HSD11B1ALOX5APFEN1KIF11SCN5A
SCHEMBL3173126 0.87
SCHEMBL3159345 0.87 FFAR4 (0.30)

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 HSD11B1 937/4885ALOX5AP 1638/4885FEN1 3373/4885

“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.