SCHEMBL3165996

SCHEMBL3165996

CCc1ccc(-c2cc(F)c(-c3ccc4cc(OC(F)(F)F)ccc4c3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GRM2 Q14416 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PTGER4 P35408 1/20 0.36
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
PDE2A O00408 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CHRM5 P08912 3/20 0.36
PPARA Q07869 1/20 0.36
CYP17A1 P05093 1/20 0.35
FFAR1 O14842 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL3170969 0.91 DAO (0.36) CNR1ESR1ESR2GRM2PRMT6
SCHEMBL3153752 0.89 RARB (0.40) CNR1ESR1ESR2GRM2TSHR
SCHEMBL3163410 0.88 RARB (0.44) TSHR
SCHEMBL3168185 0.87 CYP17A1 (0.44) GRM2PRMT6PTGER4TSHRTRPV1
SCHEMBL3171709 0.86 CYP1A2 (0.39) CNR1PRMT6TSHRFFAR4PPARA
SCHEMBL3167218 0.85 ALOX5AP (0.47) CNR1ESR1ESR2GRM2FFAR4
SCHEMBL3166385 0.85 ESR1 (0.39) CNR1ESR1ESR2GRM2PRMT6
SCHEMBL17208633 0.83 PDE2A (0.39) GRM2PDE2ACYP17A1
SCHEMBL3166899 0.83 CYP1A2 (0.36) ESR1ESR2GRM2PDE2ACYP17A1
SCHEMBL3161816 0.83 ESR1 (0.34) ESR1ESR2CYP17A1

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 8 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
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 CNR1 1891/4885ESR1 4013/4885ESR2 4093/4885

“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.