SCHEMBL5961770

SCHEMBL5961770

C=C(F)C(=O)OCCCOC(=O)c1cc(OC(=O)c2ccc3cc(C)ccc3c2)ccc1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 5/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 1/20 0.35
SCN1A P35498 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5961740 0.89 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961768 0.89 LMNA (0.42) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961869 0.85 MAPT (0.39) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961764 0.84 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961866 0.82 NPC1 (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL12731177 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961772 0.81 MAPT (0.38) KMT2AMAPTHPGDL3MBTL1TDP1
SCHEMBL12731216 0.81 MAPT (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL12731196 0.79 NPC1 (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5961747 0.77 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTTSHR

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-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF CHISSO CORPORATION (JP) 2011-06-16 US 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-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF LEF1, AFF1, CNKSR1 KMT2A 1856/4885MEN1 771/4885ALDH1A1 620/4885

“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.