SCHEMBL12823406

SCHEMBL12823406

CCOCc1ccc(-c2ccc(COc3ccc(C4CCC(O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ RXRG P48443 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ GBA1 P04062 2/20 0.34
▸ LCT P09848 2/20 0.34
▸ UGCG Q16739 2/20 0.34
▸ GBA2 Q9HCG7 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ FAAH O00519 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
SCHEMBL12736382 0.91 NAAA (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586090 0.90 NAAA (0.39) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12717186 0.87 GBA1 (0.34) NAAAGBA1LCTUGCGGBA2
SCHEMBL12823847 0.87 FEN1 (0.37) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL12717236 0.87 FEN1 (0.37) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL12717523 0.86 HTR6 (0.38) SLC6A2SLC6A4SLC6A3HTR1ARXRG
SCHEMBL12822303 0.86 FFAR4 (0.38) NAAAHTR6GBA1LCTUGCG
SCHEMBL12822613 0.86 SCN9A (0.36) NAAAGBA1LCTUGCGGBA2
SCHEMBL12823031 0.84 FFAR4 (0.39) NAAAF10NR1H4FFAR4FFAR1
SCHEMBL12736313 0.83 SLC6A2 (0.38) NAAASLC6A2SLC6A4SLC6A3HTR1A

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 NAAA 3997/4885SLC6A2 3580/4885SLC6A4 3218/4885

“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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