SCHEMBL18314830

SCHEMBL18314830

CCCC1CCC(c2ccc(OC(F)(F)C=C(F)F)c(F)c2)OC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
KDM1A O60341 2/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 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
SCHEMBL18314987 0.93 KDM1A (0.31) KDM1A
SCHEMBL18315073 0.93 KDM1A (0.31) KDM1A
SCHEMBL18314943 0.92 CYP2C9 (0.32) FASNALDH1A1MAPTHTTCYP2C9
SCHEMBL18314812 0.87 KDM1A (0.32) KDM1A
SCHEMBL18314835 0.87 FASN (0.32) FASN
SCHEMBL18314924 0.85 CYP2C9 (0.41) KDM1AALDH1A1MAPTHTTCYP2C9
SCHEMBL18315131 0.85 FASN (0.33) FASN
SCHEMBL18315026 0.84
SCHEMBL17050101 0.84 FASN (0.38) FASNALDH1A1MAPTCYP2C9
SCHEMBL18314941 0.84 CYP2C9 (0.33) ALDH1A1MAPTHTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FASN 3041/4885KDM1A 866/4885ALDH1A1 664/4885

“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.