SCHEMBL12823291

SCHEMBL12823291

C=Cc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ PTPN1 P18031 4/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL12822782 1.00 ALOX5AP (0.32) ALOX5APFEN1FFAR4PTPN1HTR1A
SCHEMBL12716882 0.92 NAAA (0.33) FFAR4PTPN1
SCHEMBL12907056 0.90 S1PR5 (0.34) ALOX5APFEN1FFAR4PTPN1HTR1A
SCHEMBL13586325 0.88 FFAR4 (0.34) ALOX5APFEN1FFAR4
SCHEMBL12822373 0.88 FFAR4 (0.34) ALOX5APFEN1FFAR4
SCHEMBL12716905 0.86 FEN1 (0.32) FEN1FFAR4
SCHEMBL12823856 0.86 FEN1 (0.35) ALOX5APFEN1FFAR4HTR1ASLC6A2
SCHEMBL12908112 0.86 MRGPRX4 (0.40) ALOX5APFEN1FFAR4
SCHEMBL12822902 0.86 FEN1 (0.35) ALOX5APFEN1FFAR4HTR1ASLC6A2
SCHEMBL12821314 0.84 FFAR4 (0.38) ALOX5APFEN1FFAR4HTR1ASLC6A2

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 ALOX5AP 1673/4885FEN1 3340/4885FFAR4 546/4885

“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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