SCHEMBL3259309

SCHEMBL3259309

CCCCc1ccc2c(F)c(-c3ccc(-c4cccc(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
RARB P10826 3/20 0.39
MPL P40238 6/20 0.38
PSMB5 P28074 1/20 0.38
PTAFR P25105 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MGLL Q99685 1/20 0.35
HSD11B1 P28845 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL6059442 0.97 RARB (0.43) TAAR1RARBMPLPSMB5PTAFR
SCHEMBL6060190 0.96 RARB (0.45) TAAR1RARBMPLPTAFRMGLL
SCHEMBL6059179 0.96 RARB (0.45) TAAR1RARBMPLPTAFRMGLL
SCHEMBL3160227 0.94 PSMB5 (0.41) TAAR1MPLPSMB5MGLLHSD11B1
SCHEMBL6059392 0.93 TAAR1 (0.41) TAAR1RARBMPLPTAFRHSD17B1
SCHEMBL3961076 0.92 PSMB5 (0.40) TAAR1MPLPSMB5MGLLHSD11B1
SCHEMBL6059344 0.91 RARB (0.40) RARBMPLPSMB5RARARARG
SCHEMBL3153926 0.91 TAAR1 (0.44) TAAR1MPLPSMB5MGLLHSD11B1
SCHEMBL3161751 0.91 GCGR (0.41) TAAR1RARBMPLPSMB5MGLL
SCHEMBL6059953 0.90 MPL (0.38) TAAR1RARBMPLPSMB5TLR8

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 TAAR1 4184/4885RARB 4021/4885MPL 4823/4885

“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.