SCHEMBL3158331

SCHEMBL3158331

C=CCCc1ccc2cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
FFAR4 Q5NUL3 4/20 0.34
FFAR1 O14842 3/20 0.34
CYP2C9 P11712 1/20 0.34
CACNA1C Q13936 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GPR3 P46089 2/20 0.33
CHRM5 P08912 2/20 0.32
PPARA Q07869 1/20 0.32
DAO P14920 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 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
SCHEMBL3166752 0.92 GRM2 (0.41) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3159733 0.90 ALOX5AP (0.42) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3152298 0.90 ALOX5AP (0.33) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3161818 0.89 ALOX5AP (0.41) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3158305 0.89 ALOX5AP (0.39) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3164690 0.89 GPR84 (0.38) GRM2GPR84CYP11B1CYP11B2HRH3
SCHEMBL3170934 0.89 GPR84 (0.38) GRM2GPR84CYP11B1CYP11B2HRH3
SCHEMBL3172056 0.89 FFAR4 (0.35) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3158360 0.88 GPR84 (0.36) FFAR4FFAR1CYP2C9CACNA1CGPR84
SCHEMBL6059274 0.88 ESR1 (0.40) FFAR4ESR1ESR2HRH3KIF11

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 GRM2 4698/4885ALOX5AP 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.