SCHEMBL5961866

SCHEMBL5961866

C=C(F)C(=O)OCCOC(=O)c1cc(OC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OCCCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
PLK1 P53350 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5961764 0.97 MAPT (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12731196 0.96 NPC1 (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12731177 0.93 KMT2A (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5961768 0.91 LMNA (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5961765 0.90 NPC1 (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL17229438 0.88 POLB (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5961869 0.87 MAPT (0.39) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5961871 0.87 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL3792053 0.86 POLB (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13152962 0.85 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA

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 NPC1 2695/4885LMNA 272/4885NFKB1 685/4885

“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.