SCHEMBL8933472

SCHEMBL8933472

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 3/20 0.34
FASN P49327 1/20 0.33
APP P05067 2/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8959493 0.97 CYP3A4 (0.32) CYP2C9CYP3A4FASNAPPCTSL
SCHEMBL8933739 0.94 CYP3A4 (0.33) CYP2C9CYP3A4FASNAPPCYP2D6
SCHEMBL8933778 0.93 RARB (0.34) CYP2C9CYP3A4FASNAPP
SCHEMBL8933689 0.92 RARB (0.35) CYP2C9CYP3A4FASNAPP
SCHEMBL8933802 0.92 RARB (0.35) CYP2C9CYP3A4FASNAPP
SCHEMBL8933777 0.92 RARB (0.35) CYP2C9CYP3A4FASNAPP
SCHEMBL8933599 0.92 RARB (0.35) CYP2C9CYP3A4FASNAPP
SCHEMBL8933684 0.92 RARB (0.35) CYP2C9CYP3A4FASNAPP
SCHEMBL8933467 0.92 CYP3A4 (0.37) CYP2C9CYP3A4FASNAPPCYP2D6
SCHEMBL22277496 0.92 CYP2C9 (0.34) CYP2C9CTSLCTSSCTSK

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 CYP2C9 2391/4885CYP3A4 1445/4885FASN 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.