SCHEMBL8946169

SCHEMBL8946169

CCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(COCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
RARB P10826 2/20 0.31
GBA1 P04062 2/20 0.31
LCT P09848 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 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
SCHEMBL8944918 0.89 RARB (0.33) RARBRARARARG
SCHEMBL8944984 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8945360 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8944816 0.89 RARB (0.33) RARBRARARARG
SCHEMBL8945025 0.89 RARB (0.33) RARBRARARARG
SCHEMBL8944961 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8945705 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8945591 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8945537 0.89 RARB (0.33) ALDH1A1RARBRARARARG
SCHEMBL8945451 0.89 RARB (0.33) ALDH1A1RARBRARARARG

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP 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 ALDH1A1 3844/4885TDP1 3966/4885SMN1; SMN2 3698/4885

“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.