SCHEMBL3170381

SCHEMBL3170381

CCCc1ccc(C#Cc2ccc3cc(OC(F)(F)F)ccc3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
ACACB O00763 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GRM5 P41594 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GPR3 P46089 3/20 0.33
PDE2A O00408 1/20 0.32
PLAU P00749 1/20 0.32
TSHR P16473 1/20 0.32
P2RX7 Q99572 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PIM1 P11309 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31

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
SCHEMBL7646090 0.98 FFAR1 (0.39) FFAR1ACACBFFAR4GRM5CTSS
SCHEMBL3172522 0.93 FFAR1 (0.39) FFAR1ACACBFFAR4GRM5CTSS
SCHEMBL3167602 0.92 FFAR1 (0.39) FFAR1ACACBFFAR4GRM5TSHR
SCHEMBL3165375 0.92 ACACB (0.42) FFAR1ACACBFFAR4GRM5GPR3
SCHEMBL3173251 0.87 FFAR1 (0.40) FFAR1ACACBFFAR4GRM5CTSS
SCHEMBL3168019 0.86 FFAR1 (0.52) FFAR1ACACBGRM5CTSSCTSK
SCHEMBL3168150 0.85 FFAR1 (0.39) FFAR1ACACBFFAR4GRM5GPR3
SCHEMBL3159338 0.84 FFAR1 (0.36) FFAR1ACACBFFAR4CTSSCTSK
SCHEMBL8436498 0.82 FFAR1 (0.43) FFAR1ACACBFFAR4TSHRPCSK9
SCHEMBL7858309 0.82 FFAR1 (0.43) FFAR1ACACBFFAR4TSHRPCSK9

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 7 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-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
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 2442/4885FFAR4 3795/4885

“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.