SCHEMBL14727699

SCHEMBL14727699

C=CC(=O)OCCCCCCOc1ccc(Cc2ccc(C3(c4ccc(Cc5ccc(OC(=O)C=C)cc5)cc4)CCC(CCC4CCC(CCC)CC4)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR5 Q9H228 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE4A P27815 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL14727701 0.99 THRB (0.40) THRBTSHRHPGDGPR119MEN1
SCHEMBL14727685 0.88 THRB (0.43) THRBTSHRHPGDGPR119MEN1
SCHEMBL14727693 0.87 THRB (0.44) THRBTSHRHPGDGPR119MEN1
SCHEMBL13427401 0.83 CYP2C9 (0.45) THRBTSHRHPGDMEN1KMT2A
SCHEMBL14173044 0.83 THRB (0.49) THRBTSHRHPGDMEN1KMT2A
SCHEMBL14727719 0.81 NPC1 (0.43) THRBTSHRHPGDGPR119MEN1
SCHEMBL14727717 0.81 HPGD (0.42) THRBTSHRHPGDGPR119MEN1
SCHEMBL14727694 0.81 THRB (0.50) THRBKMT2ASMN1; SMN2
SCHEMBL14907552 0.80 THRB (0.47) THRBTSHRHPGDMEN1KMT2A
SCHEMBL14727676 0.79 THRB (0.51) THRBTSHRHPGDGPR119MEN1

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 4473/4885TSHR 4324/4885HPGD 3974/4885

“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.