SCHEMBL3158386

SCHEMBL3158386

CCCCCc1ccc2c(F)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GRM2 Q14416 1/20 0.39
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 3/20 0.36
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
MPL P40238 4/20 0.35
FAAH O00519 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 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
SCHEMBL3161899 0.99 RARB (0.44) RARBALOX5APFEN1GRM2S1PR1
SCHEMBL3173198 0.99 RARB (0.44) RARBALOX5APFEN1GRM2S1PR1
SCHEMBL3169326 0.97 ALOX5AP (0.40) RARBALOX5APFEN1GRM2S1PR1
SCHEMBL3172144 0.95 RARB (0.39) RARBGRM2S1PR1S1PR3MPL
SCHEMBL3153132 0.94 RARB (0.41) RARBGRM2S1PR1S1PR3RARA
SCHEMBL3153102 0.94 RARB (0.41) RARBGRM2S1PR1S1PR3RARA
SCHEMBL3161194 0.94 RARB (0.38) RARBGRM2S1PR1S1PR3RARA
SCHEMBL3160311 0.93 ALOX5AP (0.41) RARBALOX5APFEN1GRM2S1PR1
SCHEMBL3165465 0.93 RARB (0.40) RARBS1PR1S1PR3RARARARG
SCHEMBL3166921 0.93 RARB (0.40) RARBGRM2S1PR1S1PR3RARA

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 RARB 4021/4885ALOX5AP 1638/4885FEN1 3373/4885

“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.