SCHEMBL8945450

SCHEMBL8945450

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 2/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
PPARG P37231 1/20 0.30
CYP1A2 P05177 2/20 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
SCHEMBL8945184 0.99 EPHX1 (0.32) EPHX1ALDH1A1
SCHEMBL8944735 0.92 DGAT1 (0.31)
SCHEMBL18718362 0.92 DGAT1 (0.31)
SCHEMBL12999632 0.91 EPHX1 (0.33) EPHX1ALDH1A1GRM2
SCHEMBL8947165 0.91 EPHX1 (0.37) EPHX1ALDH1A1GRM2PPARGCYP1A2
SCHEMBL8945533 0.90 EPHX1 (0.32) EPHX1ALDH1A1GRM2RARBRARA
SCHEMBL13262999 0.90 DRD1 (0.34) EPHX1ALDH1A1RARBRARARARG
SCHEMBL8947069 0.90 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2
SCHEMBL8945705 0.90 RARB (0.33) EPHX1ALDH1A1RARBRARARARG
SCHEMBL8945260 0.90 EPHX1 (0.32) EPHX1ALDH1A1RARBRARARARG

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 2 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-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 EPHX1 3086/4885ALDH1A1 3844/4885GRM2 3313/4885

“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.