SCHEMBL8958890

SCHEMBL8958890

CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
FASN P49327 1/20 0.37
APP P05067 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ESR2 Q92731 1/20 0.31
PANK3 Q9H999 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
SCHEMBL8932809 0.97 CYP2C9 (0.41) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958717 0.93 CYP3A4 (0.36) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958588 0.93 CYP2C9 (0.36) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958989 0.92 CYP3A4 (0.36) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958607 0.91 CYP2C9 (0.35) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958581 0.90 RARB (0.35) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8932885 0.89 CYP3A4 (0.38) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8932816 0.89 CYP2C9 (0.38) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958719 0.89 RARB (0.37) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958907 0.89 RARB (0.37) CYP2C9CYP3A4ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CYP2C9 2391/4885CYP3A4 1445/4885ALDH1A1 3844/4885

“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.