SCHEMBL5961813

SCHEMBL5961813

C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
THRB P10828 2/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACR P10323 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
MRGPRX4 Q96LA9 4/20 0.32
AR P10275 1/20 0.32
THRA P10827 1/20 0.32
SRD5A2 P31213 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
SCHEMBL13664620 0.94 RXRA (0.37) RXRARXRBRXRGNR1H4THRB
SCHEMBL12733757 0.86 MAPT (0.36) RXRARXRBRXRGNR1H4THRB
SCHEMBL12731125 0.84 THRB (0.36) THRBPRSS1ALDH1A1ACRMAOB
SCHEMBL19759249 0.84 THRB (0.39) THRBPRSS1ACR
SCHEMBL14088565 0.84 THRB (0.41) RXRARXRBRXRGNR1H4THRB
SCHEMBL12154238 0.83 NR1H4 (0.46) NR1H4THRB
SCHEMBL5961817 0.83 KMT2A (0.39) THRBALDH1A1
SCHEMBL5961815 0.83 THRB (0.33) THRBMAOB
SCHEMBL5952860 0.83 HTT (0.41) RXRARXRBRXRGTHRBPRSS1
SCHEMBL12154225 0.83 THRB (0.38) THRBPRSS1ALDH1A1ACRMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF CHISSO CORPORATION (JP) 2011-06-16 US disclosed
US-7919648-B2 Lateral α-substituted acrylate compound and polymer thereof CHISSO CORPORATION (JP) 2011-04-05 US disclosed
US-20070134447-A1 Lateral a-substituted acrylate compound and polymer thereof CHISSO CORPORATION 2007-06-14 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 (2 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-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF LEF1, AFF1, CNKSR1 RXRA 914/4885RXRB 1359/4885RXRG 1985/4885
US-20070134447-A1 Lateral a-substituted acrylate compound and polymer thereof AFF1, CNKSR1, LEF1 RXRA 668/4885RXRB 1297/4885RXRG 1914/4885

“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.