SCHEMBL3168019

SCHEMBL3168019

CCCc1ccc(C#Cc2ccc3cc(OC(F)(F)F)ccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
ACACB O00763 7/20 0.43
PLAU P00749 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
GRM5 P41594 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.37
DAO P14920 1/20 0.36
THRB P10828 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PIM1 P11309 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
SCHEMBL3167976 0.92 FFAR1 (0.50) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL3163085 0.91 FFAR1 (0.49) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL3162508 0.90 FFAR1 (0.49) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL8379711 0.88 ACACB (0.52) FFAR1ACACBTSHRDAOSLC6A4
SCHEMBL3173251 0.87 FFAR1 (0.40) FFAR1ACACBPLAUGRM5CTSS
SCHEMBL5687193 0.87 ACACB (0.43) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL3170381 0.86 FFAR1 (0.41) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL7646090 0.84 FFAR1 (0.39) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL3153736 0.83 FFAR1 (0.49) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL9742346 0.82 FFAR1 (0.50) FFAR1ACACBPLAUASIC3SLC6A3

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 FFAR1 4057/4885ACACB 2442/4885PLAU 3278/4885

“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.