Methyl 3-Phenylpropanoate

Methyl 3-Phenylpropanoate

SCHEMBL213543

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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
FFAR1 O14842 10/20 0.66
TDP1 Q9NUW8 1/20 0.61
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
FFAR4 Q5NUL3 2/20 0.56
ALDH1A1 P00352 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55

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 SCHEMBL6734679 0.98 KEAP1 (0.68) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27506579 0.98 KEAP1 (0.68) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL7106668 0.95 KEAP1 (0.63) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL168711 0.94 TDP1 (0.68) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.92 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL27315471 0.92 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
SCHEMBL1587088 0.92 FFAR1 (0.59) KEAP1FFAR1TDP1FFAR4ALDH1A1
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.92 TDP1 (0.66) KEAP1FFAR1TDP1CA12CA7
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8402039 0.92 FFAR1 (0.61) KEAP1FFAR1TDP1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.91 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023199324-A1 MIXTURE OF 3-HEXENYL ESTER ISOMERS AND USES THEREOF AGAN AROMA & FINE CHEMICALS LTD. (IL) 2023-10-19 WO disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 EP disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
EP-2038254-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-03-25 EP disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 WO disclosed
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 WO disclosed
EP-0420532-B1 Process for producing 3,4-dihydrocoumarin derivatives SUMITOMO CHEMICAL CO (JP) 1994-06-08 EP disclosed
US-5237075-A Process for producing 3,4-dihydrocoumarin derivatives SUMITOMO CHEMICAL CO., LTD. (JP) 1993-08-17 US disclosed
EP-0551019-A1 Catalytic process of producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-14 EP disclosed
EP-0420532-A2 Process for producing 3,4-dihydrocoumarin derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 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 (4 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 KEAP1 2979/4885FFAR1 2836/4885TDP1 1504/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 KEAP1 284/4885FFAR1 4659/4885TDP1 627/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 KEAP1 1060/4885FFAR1 3715/4885TDP1 1772/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 KEAP1 3085/4885FFAR1 2638/4885TDP1 1604/4885

“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.