SCHEMBL3161807

SCHEMBL3161807

CCCCCC1CCC(CCc2cc(F)c(-c3ccc4cc(OC(F)(F)F)ccc4c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.35
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PHKG2 P15735 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MARK3 P27448 1/20 0.34
PRKCI P41743 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PRKCD Q05655 1/20 0.34
MAP4K2 Q12851 1/20 0.34
STK3 Q13188 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
PKN2 Q16513 1/20 0.34
CDC42BPA Q5VT25 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
SCHEMBL3161801 1.00 FFAR4 (0.35) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL9656565 0.92 JAK2 (0.36) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL3168098 0.92 FFAR4 (0.36) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL3168113 0.92 FFAR4 (0.36) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL9656560 0.92 JAK2 (0.36) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL3160085 0.89 GRM2 (0.42) FFAR4GRM2FFAR1CYP2C9CACNA1C
SCHEMBL3160080 0.89 GRM2 (0.42) FFAR4GRM2FFAR1CYP2C9CACNA1C
SCHEMBL3168341 0.88 TRPV1 (0.34) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL3168351 0.88 TRPV1 (0.34) FFAR4JAK2ROCK2PRKD3PRKCG
SCHEMBL3172249 0.88 FFAR4 (0.40) FFAR4JAK2ROCK2PRKD3PRKCG

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 9 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
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
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 FFAR4 3795/4885JAK2 3488/4885ROCK2 173/4885

“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.