SCHEMBL12735927

SCHEMBL12735927

C/C=C/C1CCC(c2ccc(OCC3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.34
▸ PPARD Q03181 4/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL12740679 0.95 FFAR1 (0.38) FFAR1PPARD
SCHEMBL12740648 0.91 FFAR1 (0.39) FFAR1PPARD
SCHEMBL12740621 0.90 HTR2A (0.34) SCN9AHTR2AHTR2CHTR2B
SCHEMBL12735774 0.90 HTR2A (0.34) SCN9AHTR2AHTR2CHTR2B
SCHEMBL12735920 0.89 FFAR1 (0.35) FFAR1PPARDSCN9APARP15PARP10
SCHEMBL12735930 0.87 FFAR1 (0.37) FFAR1PPARDSCN9APARP15PARP10
SCHEMBL12735931 0.86 SCN9A (0.43) FFAR1PPARDSCN9APARP15PARP10
SCHEMBL12735929 0.85 FFAR1 (0.39) FFAR1PPARDSCN9APARP15PARP10
SCHEMBL12823404 0.85 FFAR1 (0.40) FFAR1PPARDSCN9APARP15PARP10
SCHEMBL12717333 0.85 FFAR1 (0.37) FFAR1PPARDSCN9APARP15PARP10

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 3 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

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 FFAR1 247/4885PPARD 3762/4885SCN9A 2503/4885

“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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