SCHEMBL3166385

SCHEMBL3166385

CCCc1cc(F)c(-c2ccc3cc(OC(F)(F)F)ccc3c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 2/20 0.38
CYP2C9 P11712 1/20 0.38
CACNA1C Q13936 1/20 0.38
CHRNA7 P36544 1/20 0.37
PDE2A O00408 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
APLNR P35414 1/20 0.35
GRM2 Q14416 1/20 0.35
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
GPR3 P46089 1/20 0.35
PTGER4 P35408 1/20 0.34

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 0.92 DAO (0.36) ESR1ESR2CTSSCTSKFFAR4
SCHEMBL3163733 0.91 APLNR (0.38) ESR1ESR2FFAR4FFAR1CYP2C9
SCHEMBL3163087 0.90 RARB (0.39) ESR1ESR2FFAR4FFAR1CYP2C9
SCHEMBL3168098 0.85 FFAR4 (0.36) ESR1ESR2FFAR4FFAR1CYP2C9
SCHEMBL3168113 0.85 FFAR4 (0.36) ESR1ESR2FFAR4FFAR1CYP2C9
SCHEMBL3157988 0.85 GRM2 (0.45) ESR1ESR2CTSSCTSKFFAR4
SCHEMBL3165996 0.85 CNR1 (0.38) ESR1ESR2FFAR4FFAR1PDE2A
SCHEMBL3153752 0.85 RARB (0.40) ESR1ESR2FFAR4FFAR1CYP2C9
SCHEMBL3167131 0.84 CHRNA7 (0.37) CTSSCTSKFFAR4CHRNA7PRMT6
SCHEMBL3165349 0.84 SLC13A5 (0.43) CTSSCTSKFFAR4CHRNA7PIM1

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 ESR1 4013/4885ESR2 4093/4885CTSS 3564/4885

“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.