SCHEMBL3167499

SCHEMBL3167499

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
P2RY14 Q15391 5/20 0.34
SLC6A2 P23975 1/20 0.34
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSPO P30536 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR1B P28222 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL3159604 0.94 PSEN1 (0.37) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL3158563 0.93 PSEN1 (0.38) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL6059490 0.92 ESR1 (0.40) ESR1ESR2TAAR1ERN1
SCHEMBL3160958 0.90 KIF11 (0.36) MAOBESR1ESR2ERN1
SCHEMBL3258893 0.88 ESR1 (0.38) MAOBESR1ESR2TAAR1FDFT1
SCHEMBL3158532 0.88 APP (0.36) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL3158641 0.88 KIF11 (0.48) ESR1ESR2
SCHEMBL3158648 0.88 MAOB (0.37) MAOBESR1ESR2P2RY14SLC6A2
SCHEMBL3160966 0.88 MAOB (0.36) MAOBESR1ESR2P2RY14SLC6A2
SCHEMBL3167259 0.87 ESR1 (0.37) ESR1ESR2TAAR1CYP2C9ERN1

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 3700/4885PSEN1 1574/4885PSEN2 791/4885

“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.