SCHEMBL3961076

SCHEMBL3961076

CCCCc1ccc(CCc2ccc3c(F)c(-c4cccc(F)c4)ccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
MPL P40238 7/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 1/20 0.36
GCGR P47871 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
EIF4A1 P60842 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MGLL Q99685 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 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
SCHEMBL3160227 0.97 PSMB5 (0.41) PSMB5MPLTAAR1HSD11B1TLR8
SCHEMBL4054924 0.96 GCGR (0.39) PSMB5MPLTAAR1HSD11B1TLR8
SCHEMBL3961193 0.95 RARB (0.40) MPLTAAR1HSD11B1TLR8GCGR
SCHEMBL4071507 0.95 RARB (0.40) MPLTAAR1HSD11B1TLR8GCGR
SCHEMBL3161751 0.94 GCGR (0.41) PSMB5MPLTAAR1HSD11B1TLR8
SCHEMBL3159726 0.93 GPR3 (0.40) PSMB5TAAR1HSD11B1TLR8GCGR
SCHEMBL3162670 0.93 GPR3 (0.40) PSMB5TAAR1HSD11B1TLR8GCGR
SCHEMBL4061003 0.93 TAAR1 (0.40) MPLTAAR1TRPM8
SCHEMBL3259309 0.92 TAAR1 (0.39) PSMB5MPLTAAR1HSD11B1TLR8
SCHEMBL3153926 0.92 TAAR1 (0.44) PSMB5MPLTAAR1HSD11B1GCGR

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-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
CN-1291958-C Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2006-12-27 CN 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 PSMB5 4631/4885MPL 4823/4885TAAR1 4184/4885

“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.