SCHEMBL12734560

SCHEMBL12734560

Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 10/20 0.41
▸ PELI1 Q96FA3 1/20 0.36
▸ RELA Q04206 1/20 0.35
▸ CHAT P28329 1/20 0.35
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL12739491 1.00 NFE2L2 (0.41) NFE2L2PELI1RELACHATALOX5AP
SCHEMBL12716266 0.88 NFE2L2 (0.39) NFE2L2PELI1RELAHTR2AHTR2C
SCHEMBL10301743 0.85 NFE2L2 (0.59) NFE2L2RELAKDM4EAPOBEC3ARAB9A
SCHEMBL12734724 0.85 NFE2L2 (0.48) NFE2L2PELI1HTR2AHTR2CKCNH2
SCHEMBL10301659 0.84 NFE2L2 (0.46) NFE2L2RELAKCNH2KDM4EAPOBEC3A
SCHEMBL10301662 0.83 NFE2L2 (0.33) NFE2L2CHATALOX5PTGS1PTGS2
SCHEMBL12734571 0.82 KDM4E (0.33) NFE2L2KDM4EALOX5PTGS1PTGS2
SCHEMBL12739499 0.82 KDM4E (0.33) NFE2L2KDM4EALOX5PTGS1PTGS2
SCHEMBL10301660 0.81 CTSL (0.37) NFE2L2
SCHEMBL10301675 0.81 TUBB1 (0.36) NFE2L2RELAKDM4E

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 1574/4885PELI1 1762/4885RELA 3454/4885

“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