SCHEMBL18314947

SCHEMBL18314947

CCCC1CCC(c2ccc(C3CCC(C(F)(F)Oc4ccc(OC(F)(F)C=C(F)F)c(F)c4)CC3)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
OPRL1 P41146 3/20 0.32
SCN9A Q15858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL18314913 0.89 SCN9A (0.34) SCN9A
SCHEMBL18314949 0.86 SCN9A (0.32) SCN9A
SCHEMBL18314876 0.86 SCN9A (0.32) SCN9A
SCHEMBL18314924 0.86 CYP2C9 (0.41) CYP2C9SCN9AALDH1A1LMNAMAPT
SCHEMBL12622763 0.86 OPRL1 (0.33) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL12622874 0.86 OPRL1 (0.33) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL18314894 0.86 CYP2C9 (0.40) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL19829171 0.85 OPRL1 (0.34) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL18314991 0.84 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18314937 0.84 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1

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 CYP2C9 1546/4885OPRL1 1258/4885SCN9A 2058/4885

“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.