SCHEMBL10301716

SCHEMBL10301716

Cc1ccc(-c2ccc(/C=C/c3cccc(F)c3F)cc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 13/20 0.54
▸ HDAC1 Q13547 4/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ RELA Q04206 1/20 0.40
▸ FGF23 Q9GZV9 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ KCNA3 P22001 1/20 0.36

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
SCHEMBL12734724 0.83 NFE2L2 (0.48) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL10301659 0.83 NFE2L2 (0.46) NFE2L2RELACHEK1CDK4CCNA2
SCHEMBL10091255 0.80 DHODH (0.45) HDAC1HDAC6RELAHDAC2HDAC8
SCHEMBL10301686 0.78 NFE2L2 (0.47) NFE2L2RELACHEK1CDK4CCNA2
SCHEMBL12739591 0.77 NFE2L2 (0.55) NFE2L2HDAC1RELA
SCHEMBL10301722 0.77 NFE2L2 (0.42) NFE2L2HDAC1KDM1AHDAC6HDAC2
SCHEMBL12734483 0.76 NFE2L2 (0.39) NFE2L2HDAC1KDM1AHDAC6RELA
SCHEMBL12734730 0.76 NFE2L2 (0.41) NFE2L2HDAC1KDM1AHDAC6HDAC2
SCHEMBL13967517 0.76 PTGS2 (0.46) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL12734725 0.74 NFE2L2 (0.45) NFE2L2HDAC1KDM1AHDAC6HDAC2

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 NFE2L2 1646/4885HDAC1 1578/4885KDM1A 549/4885

“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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