SCHEMBL10301769

SCHEMBL10301769

CCOCc1ccc(-c2ccc(/C=C/c3ccc(C)cc3F)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.45
▸ HDAC1 Q13547 3/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ RELA Q04206 1/20 0.31
▸ PELI1 Q96FA3 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL12739544 0.91 NFE2L2 (0.38) NFE2L2HDAC1RELA
SCHEMBL12734670 0.91 NFE2L2 (0.38) NFE2L2HDAC1RELA
SCHEMBL10302966 0.90 PELI1 (0.40) NFE2L2CYP1A1CYP1B1PTGS1PTGS2
SCHEMBL13654150 0.88 CYP1A1 (0.49) NFE2L2CYP1A1CYP1A2CYP1B1RELA
SCHEMBL10301744 0.87 NFE2L2 (0.50) NFE2L2HDAC1CYP1A1CYP1A2CYP1B1
SCHEMBL12739642 0.86 NFE2L2 (0.48) NFE2L2HDAC1CYP1A1CYP1A2CYP1B1
SCHEMBL12734723 0.86 NFE2L2 (0.40) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL10301685 0.85 — —
SCHEMBL12739590 0.85 NFE2L2 (0.46) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12821283 0.84 PELI1 (0.40) NFE2L2CYP1A1CYP1A2CYP1B1PTGS1

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-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

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 1578/4885CYP1A1 927/4885

“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.

Send feedback