SCHEMBL9906544

SCHEMBL9906544

C=CC(=O)OCCCCOC(=O)Oc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OC(=O)OCCCCOC(=O)C=C)ccc5c4)c(C)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HGFAC Q04756 1/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 3/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL9906546 0.99 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4HGFAC
SCHEMBL9906535 0.98 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4HGFAC
SCHEMBL9906531 0.96 THRB (0.39) TSHRALDH1A1HGFACTHRBKMT2A
SCHEMBL9906496 0.93 THRB (0.38) TSHRHPGDALDH1A1CYP3A4HGFAC
SCHEMBL29366682 0.93 MAPT (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL453621 0.93 MAPT (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL14072870 0.93 MAPT (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL9906491 0.92 THRA (0.39) TSHRHPGDALDH1A1CYP3A4HGFAC
SCHEMBL9906494 0.92 THRA (0.39) TSHRHPGDALDH1A1CYP3A4HGFAC
SCHEMBL12733887 0.92 THRA (0.39) TSHRHPGDALDH1A1CYP3A4HGFAC

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 TSHR 2121/4885HPGD 3414/4885ALDH1A1 1495/4885

“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.