SCHEMBL9906546

SCHEMBL9906546

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 2/20 0.36
HGFAC Q04756 1/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 2/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 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
SCHEMBL9906544 0.99 TSHR (0.36) TSHRALDH1A1CYP3A4HPGDHGFAC
SCHEMBL9906535 0.97 TSHR (0.36) TSHRALDH1A1CYP3A4HPGDHGFAC
SCHEMBL9906531 0.95 THRB (0.39) TSHRALDH1A1HGFACTHRBKMT2A
SCHEMBL12733887 0.93 THRA (0.39) TSHRALDH1A1CYP3A4HPGDHGFAC
SCHEMBL9906494 0.93 THRA (0.39) TSHRALDH1A1CYP3A4HPGDHGFAC
SCHEMBL9906491 0.93 THRA (0.39) TSHRALDH1A1CYP3A4HPGDHGFAC
SCHEMBL13656971 0.93 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL14000691 0.93 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL8930224 0.93 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL13109509 0.93 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTHRB

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 2121/4885ALDH1A1 1495/4885CYP3A4 1092/4885

“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.