SCHEMBL5961814

SCHEMBL5961814

C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3F)c(C)c2C(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP14 Q460N5 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL12567654 0.94 MAOB (0.35) ALDH1A1MAOBMAOACYP1A2CYP2C9
SCHEMBL12731130 0.93 ALDH1A1 (0.35) ALDH1A1MAOBMAOACYP1A2CYP2C9
SCHEMBL12154240 0.88 ALDH1A1 (0.38) ALDH1A1MAOBMAOACYP1A2CYP2C9
SCHEMBL5961815 0.84 THRB (0.33) MAOBTDP1L3MBTL1
SCHEMBL12154239 0.83 MAOB (0.37) MAOBMAOACYP1A2PPARDPARP14
SCHEMBL13289965 0.80 POLB (0.45) MAOBMAOAPARP14PARP10
SCHEMBL12567642 0.80 THRB (0.34) MAOBTDP1L3MBTL1
SCHEMBL12154248 0.79 MAOB (0.39) ALDH1A1MAOBMAOAPARP10
SCHEMBL13289955 0.78 MAOB (0.35) ALDH1A1MAOBMAOAPARP14PARP10
SCHEMBL12154246 0.78 ESR1 (0.43) MAOBMAOATDP1PARP10

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 ALDH1A1 620/4885MAOB 3983/4885MAOA 3525/4885

“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.