SCHEMBL3170969

SCHEMBL3170969

CCCc1ccc(-c2cc(F)c(-c3ccc4cc(OC(F)(F)F)ccc4c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
CNR1 P21554 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GRM2 Q14416 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP2C9 P11712 1/20 0.35
CACNA1C Q13936 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CHRNA7 P36544 1/20 0.35
PTGER4 P35408 1/20 0.34
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34
PDE2A O00408 1/20 0.34
RARA P10276 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
SCHEMBL3153752 0.93 RARB (0.40) DAOCNR1SLC13A5FFAR4ESR1
SCHEMBL3166385 0.92 ESR1 (0.39) CNR1CTSSCTSKFFAR4ESR1
SCHEMBL3163410 0.92 RARB (0.44) TSHRRARARARBRARG
SCHEMBL3165996 0.91 CNR1 (0.38) CNR1FFAR4ESR1ESR2GRM2
SCHEMBL3165349 0.88 SLC13A5 (0.43) DAOCTSSCTSKSLC13A5FFAR4
SCHEMBL3162115 0.88 SLC13A5 (0.43) DAOCTSSCTSKSLC13A5FFAR4
SCHEMBL3167131 0.88 CHRNA7 (0.37) DAOCNR1CTSSCTSKFFAR4
SCHEMBL3173929 0.86 ALOX5AP (0.45) CNR1SLC13A5FFAR4ESR1ESR2
SCHEMBL3172124 0.84 GPR84 (0.36) DAOCNR1SLC13A5FFAR4ESR1
SCHEMBL3163733 0.84 APLNR (0.38) FFAR4ESR1ESR2FFAR1CYP2C9

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 DAO 3841/4885CNR1 1891/4885CTSS 3564/4885

“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.