SCHEMBL12734723

SCHEMBL12734723

CCOCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.40
▸ HDAC1 Q13547 3/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL12822843 0.92 PELI1 (0.39) NFE2L2
SCHEMBL12739544 0.90 NFE2L2 (0.38) NFE2L2HDAC1
SCHEMBL12734670 0.90 NFE2L2 (0.38) NFE2L2HDAC1
SCHEMBL13586301 0.90 NFE2L2 (0.41) NFE2L2
SCHEMBL12739590 0.89 NFE2L2 (0.46) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL12734677 0.88 NFE2L2 (0.44) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL10301714 0.87 NFE2L2 (0.35) NFE2L2NAAA
SCHEMBL12734807 0.86 NFE2L2 (0.40) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL10301769 0.86 NFE2L2 (0.45) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL10302921 0.84 PELI1 (0.39) NFE2L2

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-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

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 NFE2L2 1574/4885HDAC1 2612/4885NAAA 3997/4885

“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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