SCHEMBL12734571

SCHEMBL12734571

CCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MPL P40238 2/20 0.32
▸ KCNA3 P22001 2/20 0.31
▸ RARB P10826 2/20 0.31
▸ GPR183 P32249 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
SCHEMBL12739499 1.00 KDM4E (0.33) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL12734688 0.89 NFE2L2 (0.34) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL10301747 0.89 NFE2L2 (0.41) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL10301660 0.89 CTSL (0.37) NFE2L2KCNA3
SCHEMBL12734730 0.86 NFE2L2 (0.41) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL12734575 0.86 KDM4E (0.34) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL12739502 0.86 KDM4E (0.34) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL12172447 0.85 RARB (0.38) ALDH1A1SMN1; SMN2ALOX5MPLRARB
SCHEMBL12739503 0.84 MPL (0.35) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL12739511 0.84 TUBB1 (0.35) KDM4EMITFALDH1A1HPGDKLF5

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 5 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
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 KDM4E 2690/4885MITF 3949/4885ALDH1A1 1480/4885

“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.

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