SCHEMBL5961772

SCHEMBL5961772

C=C(F)C(=O)OCCOC(=O)c1cc(OC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)ccc1OCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACACB O00763 2/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL5961869 0.94 MAPT (0.39) MAPTL3MBTL1THRBKMT2ASMN1; SMN2
SCHEMBL5961768 0.90 LMNA (0.42) MAPTKMT2ASMN1; SMN2POLBNPC1
SCHEMBL12731216 0.90 MAPT (0.44) MAPTL3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL5961764 0.87 MAPT (0.45) MAPTL3MBTL1THRBKMT2ASMN1; SMN2
SCHEMBL5961866 0.85 NPC1 (0.47) MAPTKMT2ASMN1; SMN2POLBNPC1
SCHEMBL12731177 0.83 KMT2A (0.47) MAPTKMT2ASMN1; SMN2POLBNPC1
SCHEMBL5961740 0.82 MAPT (0.43) MAPTL3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL5961770 0.81 KMT2A (0.38) MAPTL3MBTL1KMT2ANPC1LMNA
SCHEMBL12731196 0.81 NPC1 (0.51) MAPTKMT2ASMN1; SMN2POLBNPC1
SCHEMBL5961781 0.77 MAPT (0.44) MAPTTHRBKMT2ASMN1; SMN2POLB

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 MAPT 3921/4885L3MBTL1 473/4885THRB 1814/4885

“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.