SCHEMBL12823911

SCHEMBL12823911

C/C=C/c1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 3/20 0.33
▸ PPARD Q03181 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ FFAR1 O14842 2/20 0.32
▸ KDM1A O60341 4/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ KCNA3 P22001 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
SCHEMBL13586128 0.94 FFAR4 (0.34) FFAR4ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL13586403 0.88 S1PR5 (0.34) FFAR4S1PR5ALDH1A1MAPTKDM1A
SCHEMBL12907755 0.87 ALDH1A1 (0.35) FFAR4S1PR5ALDH1A1MAPTMAPK1
SCHEMBL12822533 0.87 FFAR4 (0.39) FFAR4S1PR5ALDH1A1MAPTFFAR1
SCHEMBL13586401 0.86 KDM1A (0.38) FFAR4S1PR5ALDH1A1MAPTKDM1A
SCHEMBL13586398 0.85 FFAR1 (0.40) ALDH1A1MAPTMAPK1PPARDPPARA
SCHEMBL12822373 0.84 FFAR4 (0.34) FFAR4KCNA3
SCHEMBL13586325 0.84 FFAR4 (0.34) FFAR4KCNA3
SCHEMBL12823163 0.82 FFAR4 (0.32) FFAR4
SCHEMBL12823473 0.82 RELA (0.32) ALDH1A1MAPT

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 546/4885S1PR5 1548/4885ALDH1A1 1480/4885

“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.

Send feedback