SCHEMBL12733657

SCHEMBL12733657

CCOCc1ccc(C2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
ESR2 Q92731 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
SCHEMBL18722013 1.00 ADRA1A (0.35) ADRA1AESR2
SCHEMBL12736620 0.93 HTR1A (0.35) ADRA1A
SCHEMBL12740223 0.93 HTR1A (0.35) ADRA1A
SCHEMBL12734916 0.90 OPRL1 (0.32) ADRA1A
SCHEMBL12739692 0.90 OPRL1 (0.32) ADRA1A
SCHEMBL12716117 0.88 ADRA1A (0.35) ADRA1AESR2
SCHEMBL12740633 0.88 SCN9A (0.39) ADRA1A
SCHEMBL12735811 0.88 SCN9A (0.39) ADRA1A
SCHEMBL10301657 0.87 ADRA1A (0.34) ADRA1A
SCHEMBL13586076 0.87 ADRA1A (0.34) ADRA1AESR2

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 ADRA1A 579/4885ESR2 1733/4885

“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.