SCHEMBL12823910

SCHEMBL12823910

COc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.39
▸ NAAA Q02083 2/20 0.38
▸ CHRM1 P11229 4/20 0.37
▸ MAOB P27338 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ APP P05067 2/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ C5AR1 P21730 1/20 0.35

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
SCHEMBL13586315 1.00 SYK (0.39) SYKNAAACHRM1MAOBHTR1A
SCHEMBL12908112 0.93 MRGPRX4 (0.40) SYKNAAAAPPFFAR1
SCHEMBL12994390 0.90 FFAR1 (0.41) SYKNAAACHRM1MAOBFFAR1
SCHEMBL12822902 0.89 FEN1 (0.35) CHRM1HTR1A
SCHEMBL12823856 0.89 FEN1 (0.35) CHRM1HTR1A
SCHEMBL12821314 0.87 FFAR4 (0.38) HTR1A
SCHEMBL13586221 0.87 FFAR4 (0.38) HTR1A
SCHEMBL12908284 0.86 FFAR1 (0.40) NAAAMAOBFFAR1
SCHEMBL12994783 0.86 FFAR4 (0.35) HTR1A
SCHEMBL12821296 0.85 FEN1 (0.37) NAAAHTR1A

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 SYK 1719/4885NAAA 3997/4885CHRM1 369/4885

“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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