SCHEMBL12821318

SCHEMBL12821318

CC(O)c1ccc(-c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FEN1 P39748 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL12823858 1.00 FFAR4 (0.34) FFAR4FEN1ALOX5APMRGPRX4RXRA
SCHEMBL12907040 0.91 MRGPRX4 (0.38) FFAR4FEN1ALOX5APMRGPRX4RXRA
SCHEMBL12994259 0.91 FFAR4 (0.33) FFAR4FEN1ALOX5APMRGPRX4RXRA
SCHEMBL13586363 0.88 PDE4A (0.34) FFAR4FEN1ALOX5APFPR2
SCHEMBL12717309 0.88 PDE4A (0.34) FFAR4FEN1ALOX5APFPR2
SCHEMBL12821293 0.86 FEN1 (0.36) FFAR4FEN1ALOX5APFPR2FFAR1
SCHEMBL12822960 0.86 FEN1 (0.36) FFAR4FEN1ALOX5APFPR2FFAR1
SCHEMBL12821323 0.86 APP (0.35) FFAR4FEN1RXRARXRBRXRG
SCHEMBL12908112 0.86 MRGPRX4 (0.40) FFAR4FEN1ALOX5APMRGPRX4FPR2
SCHEMBL12823856 0.86 FEN1 (0.35) FFAR4FEN1ALOX5APMRGPRX4RXRA

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 546/4885FEN1 3340/4885ALOX5AP 1673/4885

“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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