SCHEMBL6059112

SCHEMBL6059112

C=CCCc1ccc2cc(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX2 P34913 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
CYP17A1 P05093 1/20 0.33
PDE2A O00408 1/20 0.33
FAAH O00519 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CACNA1H O95180 3/20 0.32
GRM2 Q14416 2/20 0.32
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
MGAT2 Q10469 1/20 0.31
KIF11 P52732 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
SCHEMBL3161977 0.99 CTSK (0.35) CTSKNAAAEPHX2FFAR4CYP17A1
SCHEMBL3172056 0.94 FFAR4 (0.35) CTSKNAAAEPHX2FFAR4CYP17A1
SCHEMBL3165574 0.94 CTSK (0.33) CTSKNAAAEPHX2FFAR4CYP17A1
SCHEMBL6058907 0.88 ESR1 (0.33) FFAR4KIF11
SCHEMBL3965619 0.86 KIF11 (0.33) FFAR4CYP17A1KIF11
SCHEMBL3168869 0.86 CTSK (0.32) CTSKNAAACYP17A1FAAHKIF11
SCHEMBL3153608 0.85 ALOX5AP (0.33) CTSKNAAAEPHX2FFAR4FAAH
SCHEMBL3158360 0.84 GPR84 (0.36) FFAR4
SCHEMBL3158331 0.84 GRM2 (0.40) FFAR4GRM2KIF11
SCHEMBL3164690 0.84 GPR84 (0.38) GRM2KIF11

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 CTSK 2504/4885NAAA 2460/4885EPHX2 1121/4885

“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.