SCHEMBL18314937

SCHEMBL18314937

CCCC1CCC(C2CCC(C3CCC(c4ccc(OC(F)(F)C=C(F)F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.33
KDM1A O60341 2/20 0.32
ESR2 Q92731 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
SCHEMBL18314991 1.00 CYP2C9 (0.39) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314924 0.97 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314941 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18315072 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18315023 0.90 CYP2C9 (0.32) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314978 0.89 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18314981 0.88 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18315026 0.87
SCHEMBL18315073 0.86 KDM1A (0.31) KDM1A
SCHEMBL18314987 0.86 KDM1A (0.31) KDM1A

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 1546/4885ALDH1A1 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.