SCHEMBL9906505

SCHEMBL9906505

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(=O)C=C)ccc5c4)c(-c4ccccc4)c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
HDAC8 Q9BY41 3/20 0.38
THRA P10827 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTPN11 Q06124 1/20 0.35
P2RY14 Q15391 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
SCHEMBL9906504 0.91 PTPN11 (0.36) THRBMAPTMEN1KMT2AHTT
SCHEMBL9906559 0.89 KMT2A (0.41) THRBMAPTMEN1KMT2ATDP1
SCHEMBL9906503 0.88 KMT2A (0.49) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL9906502 0.88 KMT2A (0.37) THRBMAPTMEN1KMT2ATDP1
SCHEMBL29459182 0.87 THRB (0.42) THRBMAPTMEN1KMT2ATDP1
SCHEMBL18622717 0.87 MEN1 (0.49) THRBMAPTMEN1KMT2ATDP1
SCHEMBL13041586 0.86 ALDH1A1 (0.40) THRBMAPTMEN1KMT2AHTT
SCHEMBL9906494 0.84 THRA (0.39) THRBMAPTTDP1HTTTHRA
SCHEMBL9906491 0.84 THRA (0.39) THRBMAPTTDP1HTTTHRA
SCHEMBL12733887 0.84 THRA (0.39) THRBMAPTTDP1HTTTHRA

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-8197710-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2012-06-12 US disclosed
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-11-25 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-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION PYM1, SCO2, ZYX THRB 1211/4885MAPT 2010/4885MEN1 255/4885

“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.