SCHEMBL12734720

SCHEMBL12734720

C=CCCOc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.38
HDAC1 Q13547 2/20 0.32
TUBB1 Q9H4B7 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL12734721 0.95 NFE2L2 (0.37) NFE2L2HDAC1TUBB1APP
SCHEMBL12739541 0.91 NFE2L2 (0.36) NFE2L2HDAC1APP
SCHEMBL12734662 0.91 NFE2L2 (0.36) NFE2L2HDAC1APP
SCHEMBL12739586 0.90 NFE2L2 (0.43) NFE2L2HDAC1TUBB1
SCHEMBL14765956 0.89 FFAR1 (0.38) NFE2L2TUBB1
SCHEMBL14765961 0.89 AHR (0.38) TUBB1
SCHEMBL12734713 0.88 NFE2L2 (0.39) NFE2L2HDAC1APP
SCHEMBL12716989 0.88 CYP3A4 (0.30) APP
SCHEMBL10301713 0.88 TUBB1 (0.36) NFE2L2TUBB1APP
SCHEMBL12734714 0.87 NFE2L2 (0.38) NFE2L2HDAC1APP

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 2 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-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

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 1574/4885HDAC1 2612/4885TUBB1 664/4885

“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.