SCHEMBL3965619

SCHEMBL3965619

C=CCCc1ccc2cc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HRH3 Q9Y5N1 4/20 0.32
FFAR4 Q5NUL3 2/20 0.31
SLC13A5 Q86YT5 1/20 0.31
CYP17A1 P05093 1/20 0.30
CNR1 P21554 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
SCHEMBL6058907 0.99 ESR1 (0.33) KIF11ESR1ESR2HRH3FFAR4
SCHEMBL3165054 0.94 ESR1 (0.30) ESR1ESR2
SCHEMBL3152298 0.92 ALOX5AP (0.33) ESR1ESR2FFAR4
SCHEMBL3161977 0.88 CTSK (0.35) KIF11HRH3FFAR4SLC13A5CYP17A1
SCHEMBL6059786 0.88 CYP17A1 (0.36) ESR1ESR2HRH3CYP17A1
SCHEMBL6059112 0.86 CTSK (0.36) KIF11FFAR4CYP17A1
SCHEMBL3164690 0.86 GPR84 (0.38) KIF11HRH3SLC13A5
SCHEMBL3170934 0.86 GPR84 (0.38) KIF11HRH3SLC13A5
SCHEMBL3158817 0.86 KIF11 (0.39) KIF11ESR1ESR2HRH3FFAR4
SCHEMBL7646212 0.86 KIF11 (0.39) KIF11ESR1ESR2HRH3FFAR4

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 8 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-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 KIF11 1256/4885ESR1 4013/4885ESR2 4093/4885

“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.