SCHEMBL12734725

SCHEMBL12734725

CCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.45
▸ ALOX5 P09917 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HDAC1 Q13547 4/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ AKR1C3 P42330 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL12739592 0.93 NFE2L2 (0.54) NFE2L2ALOX5PTGS1PTGS2HDAC1
SCHEMBL12734731 0.89 RARB (0.38) NFE2L2ALOX5PTGS1PTGS2CHKA
SCHEMBL10301717 0.89 PTGS1 (0.40) NFE2L2ALOX5PTGS1PTGS2HDAC1
SCHEMBL12734807 0.88 NFE2L2 (0.40) NFE2L2HDAC1KDM1AHDAC6AKR1C3
SCHEMBL12734730 0.87 NFE2L2 (0.41) NFE2L2HDAC1KDM1AHDAC6AKR1C3
SCHEMBL12734729 0.87 RARB (0.36) NFE2L2ALOX5PTGS1PTGS2CHKA
SCHEMBL12734728 0.85 RARB (0.41) NFE2L2ALOX5PTGS1PTGS2TUBB1
SCHEMBL10301720 0.83 RARB (0.35) NFE2L2ALOX5PTGS1PTGS2CHKA
SCHEMBL12734769 0.82 NFE2L2 (0.42) NFE2L2HDAC1TUBB1MEN1KMT2A
SCHEMBL12734740 0.82 CYP1A1 (0.46) NFE2L2AKR1C3TUBB1

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 1574/4885ALOX5 830/4885PTGS1 4149/4885

“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