SCHEMBL3158648

SCHEMBL3158648

C=CCCc1ccc(-c2ccc3c(F)c(-c4cccc(F)c4-c4ccc(C(F)(F)F)cc4)ccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
CHRM5 P08912 1/20 0.33
PTGES O14684 1/20 0.33
AGXT P21549 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SLC6A2 P23975 1/20 0.30
P2RY14 Q15391 1/20 0.30
EPHX2 P34913 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL3965672 0.94 CHRM5 (0.34) MAOBCHRM5PTGESF7F3
SCHEMBL3152874 0.90 CHRM5 (0.33) MAOBCHRM5F7F3EPHX2
SCHEMBL6059569 0.90 CHRM5 (0.32) CHRM5EPHX2
SCHEMBL3160966 0.88 MAOB (0.36) MAOBTAAR1SLC6A2P2RY14ESR1
SCHEMBL6059622 0.88 CHRM5 (0.32) CHRM5
SCHEMBL3167499 0.88 MAOB (0.39) MAOBCHRM5AGXTTAAR1SLC6A2
SCHEMBL6059663 0.86 CHRM5 (0.34) MAOBCHRM5PTGESAGXT
SCHEMBL3159023 0.86 MAOB (0.37) MAOBCHRM5PTGESAGXTTAAR1
SCHEMBL3159604 0.82 PSEN1 (0.37) MAOBAGXTTAAR1SLC6A2P2RY14
SCHEMBL3167137 0.82 CHRM5 (0.34) MAOBCHRM5PTGESAGXT

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 MAOB 3700/4885CHRM5 1669/4885PTGES 2290/4885

“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.