SCHEMBL3158592

SCHEMBL3158592

CCCCc1ccc2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
FDFT1 P37268 2/20 0.43
HRH3 Q9Y5N1 4/20 0.42
ADORA3 P0DMS8 3/20 0.41
EIF4A1 P60842 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FFAR1 O14842 1/20 0.40
KIF11 P52732 1/20 0.40
RARB P10826 1/20 0.40
TLR8 Q9NR97 1/20 0.39
AGXT P21549 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL3170109 0.95 MAOB (0.44) MAOBFDFT1HRH3RARBTLR8
SCHEMBL28746126 0.95 MAOB (0.44) MAOBFDFT1HRH3RARBTLR8
SCHEMBL3167236 0.94 RARB (0.46) MAOBFDFT1HRH3RARBTLR8
SCHEMBL3160446 0.94 RARB (0.46) MAOBFDFT1HRH3RARBTLR8
SCHEMBL3159247 0.91 MAOB (0.47) MAOBFDFT1HRH3CTSSCTSK
SCHEMBL3163337 0.88 RARB (0.39) MAOBFDFT1HRH3ADORA3EIF4A1
SCHEMBL6060019 0.88 RARB (0.44) MAOBADORA3KIF11RARB
SCHEMBL10381413 0.85 MAOB (0.59) MAOBFDFT1KIF11RARB
SCHEMBL6060003 0.84 RARB (0.49) MAOBKIF11RARB
SCHEMBL3165556 0.84 RARB (0.43) MAOBADORA3RARBTLR8

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-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
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-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 MAOB 3700/4885FDFT1 350/4885HRH3 3421/4885

“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.