Methyl 3-Phenylpropanoate

Methyl 3-Phenylpropanoate

SCHEMBL1893702

COC(=O)CCc1ccccc1.[NaH]

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
CA12 O43570 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
KEAP1 Q14145 1/20 0.57
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
FFAR1 O14842 1/20 0.53
CMA1 P23946 1/20 0.53
MAPT P10636 2/20 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 SCHEMBL168711 0.98 TDP1 (0.68) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.96 TDP1 (0.66) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27315471 0.96 TDP1 (0.66) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.94 TDP1 (0.63) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27364391 0.94 TDP1 (0.63) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL213543 0.92 KEAP1 (0.70) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.92 TDP1 (0.61) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27822992 0.91 TDP1 (0.59) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL28004669 0.91 TDP1 (0.59) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27506579 0.91 KEAP1 (0.68) TDP1CA12CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10111846-B2 S isomers of alpha-methyl-hydrocinnamic acid for the treatment of blood disorders PERRINE SUSAN PARK (US) 2018-10-30 US disclosed
US-20170312235-A1 S ISOMERS OF ALPHA-METHYL-HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS PERRINE SUSAN PARK (US) 2017-11-02 US disclosed
US-9603818-B2 S isomers of alpha-methyl-hydrocinnamic acid for the treatment of blood disorders PERRINE SUSAN PARK (US) 2017-03-28 US disclosed
US-20160151315-A1 S ISOMERS OF ALPHA-METHYL-HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS PERRINE SUSAN PARK (US) 2016-06-02 US disclosed
US-9173860-B2 S isomers of α-methyl hydrocinnamic acid for the treatment of blood disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-03 US disclosed
US-20120283329-A1 S ISOMERS OF ALPHA-METHYL HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-08 US disclosed
WO-2011056978-A2 S ISOMERS OF ALPHA-METHYL HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 2011-05-12 WO 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-10111846-B2 S isomers of alpha-methyl-hydrocinnamic acid for the treatment of blood disorders HPGDS, HBG1, HCLS1 TDP1 2350/4885CA12 2787/4885CA7 160/4885
US-20160151315-A1 S ISOMERS OF ALPHA-METHYL-HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS HPGDS, HBG1, HCLS1 TDP1 2350/4885CA12 2787/4885CA7 160/4885
US-20120283329-A1 S ISOMERS OF ALPHA-METHYL HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS HBG1, HPGDS, HCLS1 TDP1 2367/4885CA12 2249/4885CA7 128/4885
US-20170312235-A1 S ISOMERS OF ALPHA-METHYL-HYDROCINNAMIC ACID FOR THE TREATMENT OF BLOOD DISORDERS HPGDS, HBG1, HCLS1 TDP1 2350/4885CA12 2787/4885CA7 160/4885

“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.