SCHEMBL12739545

SCHEMBL12739545

Cc1ccc(/C=C/c2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 7/20 0.44
▸ TUBB1 Q9H4B7 3/20 0.41
▸ GPR183 P32249 1/20 0.40
▸ PELI1 Q96FA3 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ PABPC1 P11940 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL12716266 0.86 NFE2L2 (0.39) NFE2L2PELI1PTGS1PTGS2AKR1C3
SCHEMBL12739550 0.82 NFE2L2 (0.39) NFE2L2TUBB1GPR183ALOX5PTGS1
SCHEMBL12739491 0.81 NFE2L2 (0.41) NFE2L2PELI1ESR2TTRALOX5
SCHEMBL12734560 0.81 NFE2L2 (0.41) NFE2L2PELI1ESR2TTRALOX5
SCHEMBL12739591 0.79 NFE2L2 (0.55) NFE2L2PELI1PTGS1PTGS2RELA
SCHEMBL12739387 0.78 PTGS2 (0.36) NFE2L2TUBB1PTGS2
SCHEMBL10301743 0.78 NFE2L2 (0.59) NFE2L2RAB9ARELA
SCHEMBL12734724 0.77 NFE2L2 (0.48) NFE2L2PELI1PTGS1PTGS2AKR1C3
SCHEMBL12739193 0.77 GPR183 (0.34) GPR183PDK2
SCHEMBL12740123 0.76 DAO (0.43) ESR2PTGS1PTGS2AKR1C3AKR1C2

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 664/4885GPR183 1721/4885

“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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