SCHEMBL12823946

SCHEMBL12823946

CC(O)c1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL12823420 1.00 ALOX5AP (0.34) ALOX5APFEN1ALDH1A1POLBADRB1
SCHEMBL12822753 0.91 ALOX5AP (0.32) ALOX5APFEN1ALDH1A1POLBADRB1
SCHEMBL12822944 0.88 ALOX5AP (0.33) ALOX5APFEN1ADRB1ADRB3
SCHEMBL12717495 0.88 ALOX5AP (0.33) ALOX5APFEN1ADRB1ADRB3
SCHEMBL12822743 0.86 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1POLB
SCHEMBL13586459 0.86 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1POLB
SCHEMBL12719390 0.86 ALOX5AP (0.37) ALOX5APFEN1
SCHEMBL12821273 0.86 ALOX5AP (0.37) ALOX5APFEN1
SCHEMBL12823481 0.86 APP (0.38) ALDH1A1
SCHEMBL13586488 0.85 L3MBTL1 (0.42) ALOX5APFEN1ALDH1A1POLB

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 3340/4885ALDH1A1 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.