SCHEMBL12822757

SCHEMBL12822757

CCCC1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ FFAR1 O14842 6/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FEN1 P39748 6/20 0.33
▸ ALOX5AP P20292 5/20 0.33
▸ PPARD Q03181 4/20 0.33
▸ MAOB P27338 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ BRD4 O60885 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
SCHEMBL13586284 0.94 FFAR4 (0.35) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL12822845 0.93 F10 (0.36) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL12740849 0.88 FFAR1 (0.40) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL13586289 0.87 FFAR4 (0.36) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL13586391 0.87 FFAR1 (0.38) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL12740850 0.87 FFAR4 (0.40) F10NR1H4FFAR1FFAR4FEN1
SCHEMBL12740863 0.86 FFAR1 (0.40) F10FFAR1PPARD
SCHEMBL12823572 0.86 FEN1 (0.34) FFAR4FEN1ALOX5AP
SCHEMBL12821295 0.86 FEN1 (0.34) FFAR4FEN1ALOX5AP
SCHEMBL13586612 0.86 BRD4 (0.36) BRD4

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-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 F10 950/4885NR1H4 1534/4885FFAR1 247/4885

“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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