SCHEMBL12823484

SCHEMBL12823484

COc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
CYP2C19 P33261 3/20 0.40
APP P05067 1/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL12718002 0.89 RARB (0.38) KMT2AAPPMAPTCYP2C9CYP3A4
SCHEMBL12823481 0.87 APP (0.38) KMT2ACYP2C19APPMAPTMEN1
SCHEMBL13586208 0.87 RARB (0.42) MAPTTHRB
SCHEMBL12823161 0.86 L3MBTL1 (0.42) KMT2ACYP2C19MAPTMEN1POLB
SCHEMBL13586488 0.86 L3MBTL1 (0.42) KMT2ACYP2C19MAPTMEN1POLB
SCHEMBL13586210 0.86 RELA (0.32) KMT2AAPPMAPTMEN1POLB
SCHEMBL12717996 0.85
SCHEMBL12822911 0.85 MAPT (0.41) KMT2ACYP2C19MAPTMEN1POLB
SCHEMBL12823482 0.85 KMT2A (0.49) KMT2ACYP2C19APPMAPTMEN1
SCHEMBL12823718 0.83 FAAH (0.36) MAPT

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 KMT2A 1271/4885CYP2C19 2333/4885APP 2200/4885

“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.