SCHEMBL3158462

SCHEMBL3158462

CCc1ccc2c(F)c(-c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
GRM2 Q14416 3/20 0.35
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
PDE2A O00408 2/20 0.33
CACNA1H O95180 3/20 0.33
FAAH O00519 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
EPHX2 P34913 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SCN9A Q15858 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL3163730 0.98 ALOX5AP (0.35) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3166709 0.93 CYP17A1 (0.35) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3162223 0.91 GRM2 (0.35) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3163001 0.91 CACNA1H (0.33) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3157881 0.91 NCEH1 (0.36) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3153539 0.91 CYP17A1 (0.35) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3166368 0.90 ALOX5AP (0.43) ALOX5APFEN1GRM2ESR1ESR2
SCHEMBL3165798 0.89 RARB (0.36) ALOX5APFEN1GRM2CTSKNAAA
SCHEMBL3167470 0.89 ALOX5AP (0.38) ALOX5APFEN1GRM2ESR1ESR2
SCHEMBL3168178 0.89 NCEH1 (0.38) ALOX5APFEN1GRM2CTSKNAAA

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 ALOX5AP 1638/4885FEN1 3373/4885GRM2 4698/4885

“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.