SCHEMBL5961736

SCHEMBL5961736

C=C(C(=O)OCCOC(=O)c1cc(C(=O)Oc2ccc(C)cc2)ccc1OCCCCC)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 5/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.40
POLB P06746 1/20 0.38
PTPN11 Q06124 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL5961765 0.89 NPC1 (0.45) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961740 0.87 MAPT (0.43) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961870 0.87 PLA2G2D (0.43) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961748 0.86 PLA2G2D (0.45) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961776 0.85 THRB (0.37) NPC1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5961768 0.83 LMNA (0.42) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961769 0.81 RARB (0.40) CYP1A2CYP2C19MAPTKMT2AMEN1
SCHEMBL12731222 0.81 LMNA (0.50) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961869 0.79 MAPT (0.39) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5961742 0.79 NPC1 (0.47) LMNANPC1CYP1A2CYP2C9CYP2C19

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 LMNA 272/4885NPC1 2695/4885CYP1A2 3151/4885

“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.