SCHEMBL5961776

SCHEMBL5961776

C=C(C(=O)OCCOC(=O)c1cc(OC(=O)c2ccc(OC(=O)c3ccc(-c4ccc(C)cc4)cc3)cc2)ccc1OCC)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.37
TP53 P04637 3/20 0.37
KMT2A Q03164 6/20 0.36
MAPT P10636 8/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HPGD P15428 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
SCHEMBL5961736 0.85 LMNA (0.41) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL5961765 0.84 NPC1 (0.45) TP53KMT2AMAPTMEN1ALDH1A1
SCHEMBL5961869 0.81 MAPT (0.39) THRBKMT2AMAPTMEN1KDM4E
SCHEMBL5961768 0.81 LMNA (0.42) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL5961769 0.79 RARB (0.40) KMT2AMAPTMEN1
SCHEMBL5961780 0.78 MAPT (0.44) THRBTP53KMT2AMAPTSMN1; SMN2
SCHEMBL5961774 0.77 THRB (0.43) THRBTP53KMT2AMAPTMEN1
SCHEMBL5961764 0.76 MAPT (0.45) THRBKMT2AMAPTMEN1KDM4E
SCHEMBL5961761 0.76 TP53 (0.43) THRBTP53KMT2AMAPTSMN1; SMN2
SCHEMBL5961781 0.75 MAPT (0.44) THRBTP53KMT2AMAPTMEN1

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 THRB 1814/4885TP53 583/4885KMT2A 1856/4885

“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.