SCHEMBL3259803

SCHEMBL3259803

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ERN1 O75460 2/20 0.34
FFAR4 Q5NUL3 3/20 0.33
MPL P40238 3/20 0.33
FFAR1 O14842 2/20 0.32
BACE1 P56817 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31

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
SCHEMBL6059490 0.94 ESR1 (0.40) ESR1ESR2ERN1MPL
SCHEMBL3157903 0.93 BACE1 (0.35) FFAR4MPLFFAR1BACE1
SCHEMBL3257812 0.90 MPL (0.37) ESR1ESR2ERN1MPL
SCHEMBL3153695 0.90 ESR1 (0.36) ESR1ESR2ERN1MPL
SCHEMBL3258893 0.90 ESR1 (0.38) ESR1ESR2ERN1MPL
SCHEMBL3167259 0.89 ESR1 (0.37) ESR1ESR2ERN1MPLFFAR1
SCHEMBL6059333 0.89 ESR1 (0.34) ESR1ESR2ERN1MPL
SCHEMBL3167112 0.88 MPL (0.44) ESR1ESR2MPL
SCHEMBL3261701 0.88 ESR1 (0.36) ESR1ESR2ERN1MPLBACE1
SCHEMBL27523698 0.88 TAAR1 (0.38) ESR1ESR2ERN1MPLNOS3

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 ESR1 4013/4885ESR2 4093/4885ERN1 2383/4885

“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.