SCHEMBL3159247

SCHEMBL3159247

CCCc1ccc2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
KIF11 P52732 7/20 0.41
FFAR1 O14842 1/20 0.41
AGXT P21549 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FDFT1 P37268 1/20 0.38

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
SCHEMBL5686594 0.92 MAOB (0.44) MAOBCTSSCTSKHRH3KIF11
SCHEMBL3158592 0.91 MAOB (0.45) MAOBCTSSCTSKHRH3KIF11
SCHEMBL28746126 0.89 MAOB (0.44) MAOBHRH3FDFT1
SCHEMBL3170109 0.89 MAOB (0.44) MAOBHRH3FDFT1
SCHEMBL3160446 0.88 RARB (0.46) MAOBHRH3FDFT1
SCHEMBL3167236 0.88 RARB (0.46) MAOBHRH3FDFT1
SCHEMBL3163232 0.87 MAOB (0.40) MAOBCTSSCTSKHRH3KIF11
SCHEMBL6059861 0.87 APP (0.45) MAOBCTSSCTSKHRH3KIF11
SCHEMBL3163408 0.87 CYP1A2 (0.48) MAOBHRH3KIF11AGXTTAAR1
SCHEMBL9809579 0.84 MAOB (0.63) MAOBCTSSCTSKKIF11TAAR1

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 3700/4885CTSS 3564/4885CTSK 2504/4885

“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.