SCHEMBL3158305

SCHEMBL3158305

C=CCCc1ccc2c(F)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
GRM2 Q14416 1/20 0.37
FFAR1 O14842 3/20 0.31
FFAR4 Q5NUL3 3/20 0.31
CYP2C9 P11712 1/20 0.31
CACNA1C Q13936 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL3161731 0.95 FFAR4 (0.33) ALOX5APFEN1GRM2FFAR1FFAR4
SCHEMBL3162291 0.94 CHRM5 (0.33) ALOX5APFEN1GRM2FFAR1FFAR4
SCHEMBL3954722 0.91 ALOX5AP (0.32) ALOX5APFEN1GRM2CYP11B1CYP11B2
SCHEMBL6059488 0.90 ALOX5AP (0.34) ALOX5APFEN1GRM2
SCHEMBL3153100 0.90 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL3158331 0.89 GRM2 (0.40) ALOX5APFEN1GRM2FFAR1FFAR4
SCHEMBL6058869 0.89 FFAR4 (0.34) GRM2FFAR1FFAR4CYP11B1CYP11B2
SCHEMBL3162155 0.88 ESR1 (0.34) FFAR4
SCHEMBL3153608 0.88 ALOX5AP (0.33) ALOX5APFEN1GRM2FFAR4
SCHEMBL3153998 0.88 AKR1C3 (0.36) GRM2FFAR1CACNA1CCYP11B1CYP11B2

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 ALOX5AP 1638/4885FEN1 3373/4885GRM2 4698/4885

“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.