SCHEMBL3153582

SCHEMBL3153582

CCCc1ccc(-c2ccc(-c3ccc4c(F)c(OC(F)(F)F)ccc4c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
RARB P10826 3/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
GRM2 Q14416 1/20 0.32
NCEH1 Q6PIU2 2/20 0.32
ALOX5 P09917 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL3164941 0.94 RARB (0.39) CTSKCTSSALOX5APFEN1RARB
SCHEMBL3166831 0.94 CTSS (0.36) CTSKCTSSALOX5APFEN1RARB
SCHEMBL3158484 0.93 CTSS (0.38) CTSKCTSSALOX5APFEN1RARB
SCHEMBL3167573 0.93 RARB (0.43) CTSKCTSSALOX5APFEN1RARB
SCHEMBL3166438 0.92 CTSS (0.41) CTSKCTSSRARBESR1ESR2
SCHEMBL3162740 0.92 CTSS (0.41) CTSKCTSSRARBESR1ESR2
SCHEMBL3153961 0.91 CTSK (0.34) CTSKCTSSALOX5APFEN1RARB
SCHEMBL3164834 0.91 ALOX5AP (0.38) CTSKCTSSALOX5APFEN1ESR1
SCHEMBL3163761 0.88 CTSS (0.37) CTSKCTSSRARBESR1ESR2
SCHEMBL3153037 0.87 RARB (0.39) CTSKCTSSRARBESR1ESR2

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 CTSK 2504/4885CTSS 3564/4885ALOX5AP 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.