SCHEMBL3164690

SCHEMBL3164690

C=CCCc1ccc2cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
SCN5A Q14524 3/20 0.37
DAO P14920 1/20 0.36
PPARA Q07869 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PHKG2 P15735 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MARK3 P27448 1/20 0.36
PRKCI P41743 1/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKCD Q05655 1/20 0.36
MAP4K2 Q12851 1/20 0.36
STK3 Q13188 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36

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
SCHEMBL3170934 1.00 GPR84 (0.38) GPR84SCN5ADAOPPARAJAK2
SCHEMBL3165104 0.92 SLC13A5 (0.40) GPR84SCN5ADAOPPARAJAK2
SCHEMBL3158331 0.89 GRM2 (0.40) GPR84DAOPPARACYP11B1CYP11B2
SCHEMBL3158360 0.89 GPR84 (0.36) GPR84DAOPPARAJAK2ROCK2
SCHEMBL3161977 0.86 CTSK (0.35) SLC13A5GRM2KIF11HRH3
SCHEMBL3965619 0.86 KIF11 (0.33) SLC13A5KIF11HRH3
SCHEMBL3166752 0.85 GRM2 (0.41) SLC13A5GRM2HRH3
SCHEMBL3162291 0.84 CHRM5 (0.33) GPR84DAOPPARATRPV1CYP11B1
SCHEMBL6058907 0.84 ESR1 (0.33) KIF11HRH3
SCHEMBL6059112 0.84 CTSK (0.36) 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 9 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
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-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 GPR84 4103/4885SCN5A 74/4885DAO 3841/4885

“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.