SCHEMBL9906499

SCHEMBL9906499

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
THRA P10827 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL816364 0.94 HTT (0.47) POLBAPEX1HTTTDP1THRA
SCHEMBL9906500 0.94 HTT (0.47) POLBAPEX1HTTTDP1THRA
SCHEMBL15398119 0.92 HTT (0.46) POLBAPEX1HTTTDP1THRA
SCHEMBL9906532 0.92 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL12592442 0.92 POLB (0.61) POLBAPEX1HTTTDP1TSHR
SCHEMBL31520182 0.92 POLB (0.61) POLBAPEX1HTTTDP1TSHR
SCHEMBL19799417 0.92 POLB (0.61) POLBAPEX1HTTTDP1TSHR
SCHEMBL13041587 0.91 POLB (0.55) POLBAPEX1HTTTDP1THRA
SCHEMBL19978522 0.91 POLB (0.59) POLBAPEX1HTTTDP1TSHR
SCHEMBL815721 0.89 POLB (0.53) POLBAPEX1HTTTDP1THRA

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 POLB 692/4885APEX1 1261/4885HTT 4413/4885

“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.