SCHEMBL3167682

SCHEMBL3167682

C=CCCc1ccc(-c2ccc(-c3ccc4cc(CCCC)ccc4c3)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.46
MPL P40238 3/20 0.41
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PSMB5 P28074 1/20 0.37
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
FDFT1 P37268 1/20 0.33
BCHE P06276 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
SCHEMBL3262141 0.96 RARB (0.50) RARBMPLRARARARGS1PR1
SCHEMBL3162777 0.95 RARB (0.52) RARBMPLRARARARGTHRB
SCHEMBL6060042 0.95 RARB (0.52) RARBMPLRARARARGTHRB
SCHEMBL3259813 0.93 RARB (0.39) RARBMPLRARARARGS1PR1
SCHEMBL18416758 0.91 RARB (0.50) RARBMPLRARARARGS1PR1
SCHEMBL18416769 0.91 RARB (0.50) RARBMPLRARARARGS1PR1
SCHEMBL6059274 0.91 ESR1 (0.40) RARBESR1ESR2HRH3FDFT1
SCHEMBL3158575 0.89 RARB (0.38) RARBMPLRARARARGS1PR1
SCHEMBL6059934 0.88 RARB (0.40) RARBMPLRARARARGTHRB
SCHEMBL3170479 0.88 MPL (0.42) RARBMPLRARARARGPSMB5

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-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
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-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 RARB 4021/4885MPL 4823/4885RARA 3552/4885

“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.