SCHEMBL3166994

SCHEMBL3166994

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.43
SCN5A Q14524 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
TSHR P16473 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GSK3B P49841 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PHKG2 P15735 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARK3 P27448 1/20 0.39
PRKCI P41743 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
SCHEMBL3168983 1.00 PCSK9 (0.43) PCSK9SCN5AHRH3TSHRALOX5
SCHEMBL3158152 0.96 RARB (0.42) PCSK9SCN5AHRH3TSHRALOX5
SCHEMBL3162792 0.96 RARB (0.42) PCSK9SCN5AHRH3TSHRALOX5
SCHEMBL3259802 0.94 RARB (0.44) PCSK9SCN5ATSHRPPARGRARB
SCHEMBL3168728 0.94 RARB (0.44) PCSK9SCN5ATSHRPPARGRARB
SCHEMBL3165541 0.94 RARB (0.44) PCSK9SCN5ATSHRPPARGRARB
SCHEMBL3167215 0.94 RARB (0.44) PCSK9SCN5ATSHRPPARGRARB
SCHEMBL3172760 0.91 SLC13A5 (0.41) PCSK9SCN5ATSHRALOX5PPARG
SCHEMBL3158383 0.91 TSHR (0.42) SCN5AHRH3TSHRGSK3BJAK2
SCHEMBL3158489 0.91 TSHR (0.42) SCN5AHRH3TSHRGSK3BJAK2

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 PCSK9 1098/4885SCN5A 74/4885HRH3 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.