SCHEMBL3169965

SCHEMBL3169965

CCc1ccc(CCc2ccc3c(F)c(-c4ccc(OC(F)(F)F)cc4)ccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
GRM2 Q14416 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PLA2G4A P47712 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN9 P43378 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL3153576 0.94 DAO (0.37) DAOFFAR4FFAR1GRM2GPR84
SCHEMBL3158058 0.93 GRM2 (0.39) FFAR4FFAR1GRM2TSHRCYP11B1
SCHEMBL3168473 0.92 MPL (0.41) DAOFFAR4FFAR1GRM2GPR84
SCHEMBL3162399 0.92 GRM2 (0.37) FFAR4FFAR1GRM2TSHRCYP3A4
SCHEMBL3165777 0.91 GRM2 (0.38) GRM2TSHRCYP11B1CYP11B2PTGDR2
SCHEMBL3165465 0.91 RARB (0.40) DAOMPL
SCHEMBL3170923 0.91 GSK3B (0.37) FFAR4FFAR1GRM2TSHRCYP11B1
SCHEMBL6059303 0.90 GSK3B (0.38) GRM2TSHRCYP11B1CYP11B2GSK3B
SCHEMBL3168243 0.90 RARB (0.42) CYP3A4MPL
SCHEMBL3153017 0.90 RARB (0.42) CYP3A4MPL

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 DAO 3841/4885FFAR4 3795/4885FFAR1 4057/4885

“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.