SCHEMBL6059671

SCHEMBL6059671

CCCc1ccc2c(F)c(-c3cc(F)c(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
GSK3B P49841 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GRM2 Q14416 1/20 0.34
CHRNA7 P36544 1/20 0.33
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
MPL P40238 1/20 0.32
NCEH1 Q6PIU2 2/20 0.32
ESR1 P03372 1/20 0.32
BCL2L1 Q07817 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GPR84 Q9NQS5 1/20 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
SCHEMBL3965604 0.94 MPL (0.37) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL3167050 0.93 RARB (0.35) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL6059366 0.92 PTGDR2 (0.37) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL3163451 0.92 RARB (0.37) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL3168291 0.92 RARB (0.37) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL3162399 0.91 GRM2 (0.37) PTGDR2GSK3BGRM2CHRNA7TSHR
SCHEMBL3160311 0.90 ALOX5AP (0.41) PTGDR2GSK3BALOX5APFEN1GRM2
SCHEMBL3170923 0.90 GSK3B (0.37) PTGDR2GSK3BGRM2CHRNA7TSHR
SCHEMBL3153576 0.89 DAO (0.37) PTGDR2GSK3BGRM2CHRNA7DAO
SCHEMBL3171251 0.88 NCEH1 (0.35) ALOX5APFEN1GRM2MPLNCEH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTGDR2 2340/4885GSK3B 523/4885ALOX5AP 1638/4885

“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.