SCHEMBL12739591

SCHEMBL12739591

Cc1ccc(/C=C/c2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 13/20 0.55
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PELI1 Q96FA3 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL12734724 0.92 NFE2L2 (0.48) NFE2L2HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL10301744 0.84 NFE2L2 (0.50) NFE2L2HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL12739596 0.83 NFE2L2 (0.49) NFE2L2ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL10301759 0.82 NFE2L2 (0.48) NFE2L2ALDH1A1PTGS1PTGS2HDAC1
SCHEMBL12739592 0.81 NFE2L2 (0.54) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL12716266 0.81 NFE2L2 (0.39) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL12739491 0.81 NFE2L2 (0.41) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL12734560 0.81 NFE2L2 (0.41) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL12739545 0.79 NFE2L2 (0.44) NFE2L2RELAPELI1PTGS1PTGS2
SCHEMBL12152585 0.79 NFE2L2 (0.82) NFE2L2HTR2AHTR2CKCNH2RELA

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 1574/4885HTR2A 841/4885HTR2C 253/4885

“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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