Methyl 3-Phenylpropanoate

Methyl 3-Phenylpropanoate

SCHEMBL6734679

COC(=O)CCc1ccccc1.F.O=C(O)CCc1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.68
FFAR1 O14842 10/20 0.63
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
FFAR4 Q5NUL3 2/20 0.54
ALDH1A1 P00352 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
Methyl 3-Phenylpropanoate SCHEMBL213543 0.98 KEAP1 (0.70) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27506579 0.96 KEAP1 (0.68) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL7106668 0.93 KEAP1 (0.63) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL168711 0.93 TDP1 (0.68) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27315471 0.91 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.91 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
SCHEMBL1587088 0.91 FFAR1 (0.59) KEAP1FFAR1TDP1FFAR4ALDH1A1
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.91 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8402039 0.90 FFAR1 (0.61) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.89 TDP1 (0.63) KEAP1FFAR1TDP1CA12CA7

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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 KEAP1 140/4885FFAR1 1008/4885TDP1 2006/4885

“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.