SCHEMBL3173288

SCHEMBL3173288

C=CCCc1ccc2c(F)c(-c3cc(F)c(-c4ccc(OC)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.37
GRM2 Q14416 1/20 0.37
CYP17A1 P05093 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALOX5 P09917 1/20 0.34
GABRA1 P14867 1/20 0.34
CNR2 P34972 1/20 0.34
GABRB2 P47870 1/20 0.34
TDP2 O95551 1/20 0.34
ERN1 O75460 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3168521 0.94 GRM2 (0.41) PTGS2PTGS1GRM2CYP17A1ALOX5
SCHEMBL3171328 0.92 GRM2 (0.40) PTGS2PTGS1GRM2CYP17A1ALOX5
SCHEMBL3162706 0.92 CYP17A1 (0.43) PTGS2PTGS1GRM2CYP17A1ALOX5
SCHEMBL3162380 0.89 CYP17A1 (0.35) PTGS2GRM2CYP17A1L3MBTL1ALDH1A1
SCHEMBL6060187 0.88
SCHEMBL6059952 0.88 S1PR1 (0.31)
SCHEMBL6059472 0.88 CYP17A1 (0.43) PTGS2PTGS1GRM2CYP17A1ALOX5
SCHEMBL3167262 0.88 GRM2 (0.37) GRM2
SCHEMBL6060092 0.87 PTGS2 (0.40) PTGS2PTGS1GRM2CYP17A1L3MBTL1
SCHEMBL3153271 0.87 ESR1 (0.32)

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 PTGS2 2708/4885PTGS1 3244/4885GRM2 4698/4885

“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.