SCHEMBL8933467

SCHEMBL8933467

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
FASN P49327 1/20 0.36
APP P05067 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL8959517 0.97 CYP3A4 (0.35) CYP3A4CYP2C9FASNAPPCYP2D6
SCHEMBL8933472 0.92 CYP2C9 (0.34) CYP3A4CYP2C9FASNAPPCYP2D6
SCHEMBL8933739 0.90 CYP3A4 (0.33) CYP3A4CYP2C9FASNAPPCYP2D6
SCHEMBL8933778 0.89 RARB (0.34) CYP3A4CYP2C9FASNAPPFFAR4
SCHEMBL8959493 0.89 CYP3A4 (0.32) CYP3A4CYP2C9FASNAPP
SCHEMBL8933752 0.89 CYP3A4 (0.36) CYP3A4CYP2C9FASNAPPCYP2D6
SCHEMBL8933777 0.88 RARB (0.35) CYP3A4CYP2C9FASNAPP
SCHEMBL8933689 0.88 RARB (0.35) CYP3A4CYP2C9FASNAPP
SCHEMBL8933802 0.88 RARB (0.35) CYP3A4CYP2C9FASNAPP
SCHEMBL8933599 0.88 RARB (0.35) CYP3A4CYP2C9FASNAPP

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 4 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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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 CYP3A4 1445/4885CYP2C9 2391/4885FASN 2049/4885

“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.