SCHEMBL3167126

SCHEMBL3167126

CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4cc(OC(F)(F)F)ccc4c3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
FFAR4 Q5NUL3 12/20 0.34
FFAR1 O14842 5/20 0.34
CYP2C9 P11712 2/20 0.33
CACNA1C Q13936 1/20 0.33
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
FASN P49327 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL3167136 1.00 GRM2 (0.39) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL3162674 0.97 GRM2 (0.38) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL3162667 0.97 GRM2 (0.38) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL3170530 0.94 GRM2 (0.40) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL3170520 0.94 GRM2 (0.40) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL16579010 0.92 GRM2 (0.41) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL3157413 0.91 GRM2 (0.40) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL3157425 0.91 GRM2 (0.40) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL9362548 0.89 GRM2 (0.40) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL9362553 0.89 GRM2 (0.40) GRM2ALOX5APFEN1FFAR4FFAR1

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 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.