SCHEMBL3168450

SCHEMBL3168450

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.34
CYP17A1 P05093 1/20 0.33
GRIN2B Q13224 1/20 0.32
GRM2 Q14416 3/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CACNA1H O95180 2/20 0.32
PDE4B Q07343 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 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
SCHEMBL3172954 0.99 CYP17A1 (0.34) FFAR4CYP17A1GRIN2BGRM2S1PR1
SCHEMBL3166692 0.94 FFAR4 (0.35) FFAR4CYP17A1GRIN2BS1PR1S1PR3
SCHEMBL3168295 0.94 ESR1 (0.32) FFAR4CYP17A1GRIN2BCACNA1HESR1
SCHEMBL6059895 0.88 FFAR4 (0.34) FFAR4ESR1ESR2
SCHEMBL3153765 0.86 FFAR4 (0.33) FFAR4ESR1ESR2
SCHEMBL3965501 0.86 S1PR1 (0.32) CYP17A1S1PR1S1PR3S1PR5
SCHEMBL3167382 0.85 S1PR1 (0.33) FFAR4GRM2S1PR1S1PR3S1PR5
SCHEMBL3167749 0.84 DAO (0.34) FFAR4LMNAESR1ESR2
SCHEMBL3161071 0.84 PPARG (0.33) FFAR4GRM2PDE4BPPARAESR1
SCHEMBL6060118 0.84 DRD1 (0.42) FFAR4CYP17A1LMNAPPARA

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 10 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
CN-1291958-C Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2006-12-27 CN 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 FFAR4 3795/4885CYP17A1 425/4885GRIN2B 4324/4885

“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.