SCHEMBL12823327

SCHEMBL12823327

COc1ccc(-c2ccc(OC(=O)C3CCC(c4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
BACE1 P56817 1/20 0.33
FPR2 P25090 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 2/20 0.31
APP P05067 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL12822910 1.00 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12822725 0.91 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12823437 0.91 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12836553 0.89 HPGD (0.36) HPGDKMT2AL3MBTL1RAB9AALOX5AP
SCHEMBL12823298 0.88 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL13586631 0.88 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12823350 0.88 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12719676 0.88 HTT (0.43) HPGDKMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL12823695 0.88 ALOX5AP (0.35) HPGDKMT2AL3MBTL1RAB9ANPC1
SCHEMBL13586125 0.88 ALOX5AP (0.35) HPGDKMT2AL3MBTL1RAB9ANPC1

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 HPGD 4781/4885KMT2A 1271/4885HTT 2987/4885

“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.