SCHEMBL12822904

SCHEMBL12822904

CCc1ccc(-c2ccc(COc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 13/20 0.36
▸ GYS1 P13807 3/20 0.36
▸ FFAR1 O14842 3/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ MAOB P27338 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
SCHEMBL12823265 0.92 FFAR4 (0.39) FFAR4GYS1FFAR1
SCHEMBL12823794 0.91 FFAR4 (0.37) FFAR4GYS1FFAR1MAOB
SCHEMBL12823408 0.91 FFAR4 (0.37) FFAR4GYS1FFAR1MAOB
SCHEMBL13586570 0.90 POLB (0.38) FFAR4GYS1FFAR1PTGER4
SCHEMBL13586513 0.86 F10 (0.38) FFAR1BRD4F10MAOB
SCHEMBL12907023 0.86 GYS1 (0.39) FFAR4GYS1FFAR1MAOB
SCHEMBL12822756 0.85 BRD4 (0.34) BRD4
SCHEMBL13586572 0.85 GSK3B (0.34) FFAR4GYS1FFAR1PTGER4
SCHEMBL12821221 0.85 ACACA (0.33) FFAR4GYS1PTGER4
SCHEMBL13586573 0.85 GYS1 (0.33) FFAR4GYS1MAOB

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 FFAR4 546/4885GYS1 4252/4885FFAR1 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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