SCHEMBL5961815

SCHEMBL5961815

C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(C)c2C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 4/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KMT2A Q03164 4/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12567642 0.96 THRB (0.34) THRBMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12731125 0.91 THRB (0.36) THRBMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12154225 0.88 THRB (0.38) THRBMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13560673 0.87 THRB (0.40) THRBMAPTADRB2ADRB1ADRB3
SCHEMBL5961814 0.84 ALDH1A1 (0.33) MAOBTDP1L3MBTL1
SCHEMBL15583455 0.83 MAPT (0.39) THRBSMN1; SMN2MAPTKMT2ATP53
SCHEMBL5961813 0.83 RXRA (0.36) THRBMAOB
SCHEMBL13664620 0.82 RXRA (0.37) THRBMAOBMAPTKMT2AMEN1
SCHEMBL12567643 0.82 THRB (0.39) THRBADRB2ADRB1
SCHEMBL5961817 0.81 KMT2A (0.39) THRBNPC1MAPTKMT2ATDP1

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-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

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-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF LEF1, AFF1, CNKSR1 THRB 1814/4885MAOB 3983/4885NPC1 2695/4885

“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.