SCHEMBL3261701

SCHEMBL3261701

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
MAOB P27338 3/20 0.34
ERN1 O75460 1/20 0.34
MAPKAPK2 P49137 1/20 0.31
MPL P40238 1/20 0.31
CYP3A4 P08684 1/20 0.31
BACE1 P56817 1/20 0.31
MAP4K4 O95819 1/20 0.31
CNR1 P21554 3/20 0.30
MCHR1 Q99705 1/20 0.30
KCNA3 P22001 1/20 0.30
CNR2 P34972 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
SCHEMBL3158137 0.94 MAOB (0.32) ESR1ESR2MAOBCNR1CNR2
SCHEMBL6059490 0.94 ESR1 (0.40) ESR1ESR2ERN1MPL
SCHEMBL3161382 0.93 CNR1 (0.31) ESR1ESR2CNR1CNR2
SCHEMBL3258893 0.90 ESR1 (0.38) ESR1ESR2MAOBERN1MPL
SCHEMBL3167259 0.89 ESR1 (0.37) ESR1ESR2ERN1MPLCYP3A4
SCHEMBL6059333 0.89 ESR1 (0.34) ESR1ESR2ERN1MPL
SCHEMBL3165323 0.88 ESR1 (0.39) ESR1ESR2ERN1
SCHEMBL3259803 0.88 ESR1 (0.36) ESR1ESR2ERN1MPLBACE1
SCHEMBL3153695 0.88 ESR1 (0.36) ESR1ESR2ERN1MPL
SCHEMBL3257812 0.88 MPL (0.37) ESR1ESR2ERN1MPL

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 10 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
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 ESR1 4013/4885ESR2 4093/4885MAOB 3700/4885

“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.