SCHEMBL12734677

SCHEMBL12734677

CCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.44
▸ HDAC1 Q13547 5/20 0.36
▸ KDM1A O60341 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ KCNA3 P22001 2/20 0.32
▸ PTGS2 P35354 5/20 0.32
▸ PTGS1 P23219 3/20 0.32
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL12734564 0.89 NFE2L2 (0.42) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12739493 0.89 NFE2L2 (0.42) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12734723 0.88 NFE2L2 (0.40) NFE2L2HDAC1KDM1AHDAC6
SCHEMBL12739546 0.87 NFE2L2 (0.51) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12734691 0.87 RARB (0.36) NFE2L2KCNA3
SCHEMBL10301687 0.85 NFE2L2 (0.38) NFE2L2HDAC1PTGS2PTGS1ALOX5
SCHEMBL10301744 0.84 NFE2L2 (0.50) NFE2L2HDAC1KDM1AHDAC6KCNA3
SCHEMBL12734683 0.83 ALOX5 (0.33) NFE2L2KCNA3PTGS2PTGS1ALOX5
SCHEMBL12734712 0.83 NFE2L2 (0.41) NFE2L2HDAC1KDM1APTGS2PTGS1
SCHEMBL12734725 0.82 NFE2L2 (0.45) NFE2L2HDAC1KDM1AHDAC6PTGS2

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 NFE2L2 1574/4885HDAC1 2612/4885KDM1A 937/4885

“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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