SCHEMBL18314979

SCHEMBL18314979

CCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)C=C(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.32
FASN P49327 1/20 0.32
HTT P42858 1/20 0.30
APP P05067 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
SCHEMBL18314842 0.98 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18315008 0.97 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314850 0.94 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314901 0.90 CYP2C9 (0.30) CYP2C9
SCHEMBL18314895 0.90 CYP2C9 (0.31) CYP2C9
SCHEMBL18314988 0.89 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314923 0.88 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18315033 0.88 FFAR4 (0.33) CYP2C9CYP3A4FASNAPP
SCHEMBL18314978 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314983 0.88 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135659-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-03-01 EP disclosed
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 US 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 CYP2C9 1546/4885ALDH1A1 664/4885MAPT 1235/4885

“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.