SCHEMBL3172140

SCHEMBL3172140

CCC[C@H]1CC[C@H](CCc2cc(F)c(-c3ccc4c(F)c(OC(F)(F)F)ccc4c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HCRTR1 O43613 4/20 0.30
HCRTR2 O43614 4/20 0.30
FGFR2 P21802 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL3172143 1.00 CTSS (0.33) CTSSCTSKESR1ESR2HCRTR1
SCHEMBL3162841 0.93 CTSS (0.32) CTSSCTSK
SCHEMBL3162851 0.93 CTSS (0.32) CTSSCTSK
SCHEMBL3162655 0.90 FFAR4 (0.35) CTSSCTSKESR1ESR2FFAR4
SCHEMBL3162642 0.90 FFAR4 (0.35) CTSSCTSKESR1ESR2FFAR4
SCHEMBL3165222 0.89 GRM2 (0.33) CTSSCTSKESR1ESR2HCRTR1
SCHEMBL3165232 0.89 GRM2 (0.33) CTSSCTSKESR1ESR2HCRTR1
SCHEMBL3160429 0.89 CYP2C9 (0.32) CTSSCTSKESR1ESR2FGFR2
SCHEMBL3160424 0.89 CYP2C9 (0.32) CTSSCTSKESR1ESR2FGFR2
SCHEMBL3161352 0.87 NCEH1 (0.36) CTSSCTSKHCRTR1HCRTR2FFAR4

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 CTSS 3564/4885CTSK 2504/4885ESR1 4013/4885

“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.