SCHEMBL2604660

SCHEMBL2604660

C=CC(=O)OCCCCOc1ccc(-c2cccc(-c3ccc(OCCCCOC(=O)C=C)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
FFAR4 Q5NUL3 4/20 0.48
FFAR1 O14842 2/20 0.48
HDAC1 Q13547 9/20 0.47
HDAC2 Q92769 9/20 0.47
HDAC3 O15379 8/20 0.47
HDAC4 P56524 8/20 0.47
HDAC7 Q8WUI4 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
HDAC5 Q9UQL6 8/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL2604661 0.93 THRB (0.68) THRBTSHRALDH1A1CYP3A4FFAR4
SCHEMBL16893724 0.91 THRB (0.69) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL12172632 0.91 THRB (0.63) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL1532973 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893846 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893840 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893915 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893927 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893714 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL26981904 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HDAC1

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-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 THRB 4883/4885TSHR 4831/4885ALDH1A1 1348/4885

“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.