SCHEMBL12717818

SCHEMBL12717818

CCc1ccc(-c2ccc(CCc3ccc(C4=CCC(C)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 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
SCHEMBL12738619 0.89 CHKA (0.33) NR1I2KCNH2GRM2
SCHEMBL12738733 0.89 NAAA (0.31)
SCHEMBL12718738 0.88 RARB (0.32) NR1I2KCNH2GRM2RARB
SCHEMBL12738713 0.88 NAAA (0.38)
SCHEMBL12738694 0.87 RARB (0.32) RARBRARARARG
SCHEMBL12738717 0.85 S1PR1 (0.39) RARBRARARARG
SCHEMBL12738715 0.84 S1PR1 (0.37) RARBRARARARG
SCHEMBL13000141 0.84 NR1I2 (0.31) NR1I2KCNH2GRM2
SCHEMBL12738722 0.84 S1PR1 (0.37) RARBRARARARG
SCHEMBL12738721 0.84 S1PR1 (0.37) RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 EP disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 NR1I2 656/4885KCNH2 183/4885GRM2 2666/4885

“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.