SCHEMBL12739550

SCHEMBL12739550

CCCc1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(C)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.39
▸ TUBB1 Q9H4B7 3/20 0.37
▸ KCNA3 P22001 3/20 0.36
▸ RARB P10826 2/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ MPL P40238 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL12734688 0.88 NFE2L2 (0.34) NFE2L2KCNA3RARBPTGS1PTGS2
SCHEMBL12739551 0.86 KCNA3 (0.38) NFE2L2KCNA3RARBALOX5SMN1; SMN2
SCHEMBL12740128 0.85 DAO (0.43) RARBPTGS1PTGS2ALOX5SMN1; SMN2
SCHEMBL12739552 0.84 RARB (0.39) NFE2L2KCNA3RARBSMN1; SMN2NPC1
SCHEMBL12734571 0.83 KDM4E (0.33) NFE2L2KCNA3RARBPTGS1PTGS2
SCHEMBL12739499 0.83 KDM4E (0.33) NFE2L2KCNA3RARBPTGS1PTGS2
SCHEMBL12739554 0.83 RARB (0.43) KCNA3RARBALOX5SMN1; SMN2NPC1
SCHEMBL10301747 0.83 NFE2L2 (0.41) NFE2L2KCNA3RARBPTGS1PTGS2
SCHEMBL12739565 0.83 TUBB1 (0.48) TUBB1SMN1; SMN2NPC1TP53PKM
SCHEMBL12739596 0.82 NFE2L2 (0.49) NFE2L2KCNA3RARBPTGS1PTGS2

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 1574/4885TUBB1 664/4885KCNA3 721/4885

“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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