SCHEMBL3168907

SCHEMBL3168907

CCCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc4cc(OC(F)(F)F)ccc4c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
GRM5 P41594 1/20 0.33
ACACB O00763 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAP4K1 Q92918 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EPHX2 P34913 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
SCHEMBL3168916 1.00 CYP2C9 (0.34) CYP2C9FFAR1MAPTRAB9AMEN1
SCHEMBL3161967 0.97 CYP2C9 (0.34) CYP2C9FFAR1MAPTRAB9AMEN1
SCHEMBL3161974 0.97 CYP2C9 (0.34) CYP2C9FFAR1MAPTRAB9AMEN1
SCHEMBL3172517 0.93 CYP2C9 (0.41) CYP2C9FFAR1MAPTMEN1MAPK1
SCHEMBL3172526 0.93 CYP2C9 (0.41) CYP2C9FFAR1MAPTMEN1MAPK1
SCHEMBL9510190 0.91 KDM1A (0.40) CYP2C9MAPTRAB9AMEN1MAPK1
SCHEMBL3166926 0.90 TRPV1 (0.31) FFAR1TRPV1GRM5
SCHEMBL3166916 0.90 TRPV1 (0.31) FFAR1TRPV1GRM5
SCHEMBL9743967 0.88 SLC6A2 (0.40) CYP2C9MAPTRAB9AMEN1MAPK1
SCHEMBL9743959 0.88 SLC6A2 (0.40) CYP2C9MAPTRAB9AMEN1MAPK1

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 8 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
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 CYP2C9 749/4885FFAR1 4057/4885MAPT 956/4885

“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.