SCHEMBL14727700

SCHEMBL14727700

C=CC(=O)Cc1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(=O)c5ccc(OC(=O)C=C)cc5)cc4)CCC(CC)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.42
PRSS1 P07477 4/20 0.34
KLK1 P06870 3/20 0.34
TMPRSS2 O15393 2/20 0.34
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KMT2A Q03164 3/20 0.32
F2 P00734 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
SLC22A2 O15244 1/20 0.32
HPN P05981 1/20 0.32
CTSL P07711 1/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
HGFAC Q04756 1/20 0.32

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
SCHEMBL14727694 0.84 THRB (0.50) THRBADORA3NFKB1NFKB2RELA
SCHEMBL14727719 0.80 NPC1 (0.43) THRBPRSS1NFKB1NFKB2RELA
SCHEMBL14727678 0.78 THRB (0.42) THRBADORA3NFKB1NFKB2RELA
SCHEMBL14173044 0.77 THRB (0.49) THRBADORA3KMT2AMAPTMEN1
SCHEMBL14727674 0.75 THRB (0.50) THRBADORA3KMT2AMEN1
SCHEMBL14192345 0.74 THRB (0.62) THRBPRSS1KLK1TMPRSS2KMT2A
SCHEMBL17364494 0.74 KMT2A (0.52) PRSS1KLK1TMPRSS2KMT2AMAPT
SCHEMBL15397339 0.74 THRB (0.64) THRBPRSS1KLK1TMPRSS2TP53
SCHEMBL14727676 0.73 THRB (0.51) THRBADORA3KMT2AMEN1
SCHEMBL14173043 0.73 THRB (0.44) THRBADORA3NFKB1NFKB2RELA

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-8840807-B2 Polymerizable compound JNC CORPORATION (JP) 2014-09-23 US disclosed
US-20130048912-A1 POLYMERIZABLE COMPOUND JNC PETROCHEMICAL CORPORATION (JP) 2013-02-28 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-20130048912-A1 POLYMERIZABLE COMPOUND PYM1, ZYX, CPNE4 THRB 4473/4885PRSS1 2141/4885KLK1 742/4885

“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.