SCHEMBL3165222

SCHEMBL3165222

CCC[C@H]1CC[C@H](CCc2ccc(-c3ccc4c(F)c(OC(F)(F)F)ccc4c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3165232 1.00 GRM2 (0.33) GRM2FFAR4ALOX5APFEN1CTSS
SCHEMBL3163480 0.94 RARB (0.33) GRM2FFAR4ALOX5APFEN1CTSS
SCHEMBL3163472 0.94 RARB (0.33) GRM2FFAR4ALOX5APFEN1CTSS
SCHEMBL3172143 0.89 CTSS (0.33) FFAR4CTSSCTSKESR1ESR2
SCHEMBL3172140 0.89 CTSS (0.33) FFAR4CTSSCTSKESR1ESR2
SCHEMBL3162655 0.89 FFAR4 (0.35) FFAR4CTSSCTSKESR1ESR2
SCHEMBL3162642 0.89 FFAR4 (0.35) FFAR4CTSSCTSKESR1ESR2
SCHEMBL3161344 0.89 NCEH1 (0.36) FFAR4CTSSCTSKHCRTR1HCRTR2
SCHEMBL3161352 0.89 NCEH1 (0.36) FFAR4CTSSCTSKHCRTR1HCRTR2
SCHEMBL3153382 0.89 FFAR4 (0.33) GRM2FFAR4ALOX5APFEN1CTSK

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 GRM2 4698/4885FFAR4 3795/4885ALOX5AP 1638/4885

“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.