SCHEMBL10301744

SCHEMBL10301744

CCc1ccc(-c2ccc(/C=C/c3ccc(C)cc3F)cc2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 7/20 0.50
▸ HDAC1 Q13547 4/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ KCNA3 P22001 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ CHKA P35790 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL12739493 0.90 NFE2L2 (0.42) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12734564 0.90 NFE2L2 (0.42) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL10301769 0.87 NFE2L2 (0.45) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL10301748 0.85 NFE2L2 (0.38) NFE2L2KCNA3HTR2AHTR2CKCNH2
SCHEMBL12739592 0.85 NFE2L2 (0.54) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12734677 0.84 NFE2L2 (0.44) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12739591 0.84 NFE2L2 (0.55) NFE2L2HDAC1PTGS1PTGS2HTR2A
SCHEMBL12739596 0.84 NFE2L2 (0.49) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL10301662 0.83 NFE2L2 (0.33) NFE2L2KCNA3PTGS1PTGS2CHKA
SCHEMBL12739546 0.83 NFE2L2 (0.51) NFE2L2HDAC1KDM1AHDAC6KCNA3

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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