SCHEMBL3163733

SCHEMBL3163733

CCCCCc1cc(F)c(-c2ccc3cc(OC(F)(F)F)ccc3c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
RARB P10826 3/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP2C9 P11712 1/20 0.36
CACNA1C Q13936 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
FAAH O00519 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL3163087 0.99 RARB (0.39) APLNRRARBRARARARGFFAR4
SCHEMBL3163410 0.93 RARB (0.44) APLNRRARBRARARARGPPARG
SCHEMBL3166385 0.91 ESR1 (0.39) APLNRFFAR4FFAR1ESR1ESR2
SCHEMBL3153752 0.89 RARB (0.40) APLNRRARBRARARARGFFAR4
SCHEMBL3162030 0.86 RARB (0.46) RARBRARARARGFFAR4FFAR1
SCHEMBL3161801 0.86 FFAR4 (0.35) APLNRFFAR4FFAR1CYP2C9CACNA1C
SCHEMBL3161807 0.86 FFAR4 (0.35) APLNRFFAR4FFAR1CYP2C9CACNA1C
SCHEMBL3167242 0.85 RARB (0.42) RARBRARARARGPPARGPPARA
SCHEMBL3161398 0.85 RARB (0.47) RARBRARARARGFFAR4FFAR1
SCHEMBL3172809 0.85 RARB (0.45) RARBRARARARGPPARGFAAH

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 APLNR 4334/4885RARB 4021/4885RARA 3552/4885

“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.