Ethyl Benzoate

Ethyl Benzoate

SCHEMBL1817887

CCOC(=O)c1ccccc1.c1cc2cc-2c1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ESR1 P03372 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
ESR2 Q92731 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
Ethyl Benzoate SCHEMBL27664464 0.95 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL2404818 0.91 NPC1 (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
Biphenyl SCHEMBL927814 0.91 MEN1 (0.67) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL29677944 0.89 CA12 (0.59) LMNAMEN1KMT2ACA12CA1
SCHEMBL6208075 0.89 CA12 (0.58) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL29617015 0.89 TP53 (0.62) SMN1; SMN2RAB9ANPC1CA12CA1
Ethyl Benzoate SCHEMBL25388294 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAALMNA
Ethyl Benzoate SCHEMBL55674 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAALMNA
Ethyl Benzoate SCHEMBL2762273 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL4193217 0.87 TP53 (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10424745-B2 Organometallic complex, light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-09-24 US disclosed
US-20180212164-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-07-26 US disclosed
EP-2496591-B1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2018-05-30 EP disclosed
US-20150287936-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-10-08 US disclosed
US-9065061-B2 Organometallic complex, light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-23 US disclosed
EP-2496591-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE Semiconductor Energy Laboratory Co. Ltd. (JP) 2012-09-12 EP disclosed
WO-2011052516-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-05-05 WO disclosed
US-20110101854-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-05-05 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 (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-10424745-B2 Organometallic complex, light-emitting element, display device, electronic device, and lighting device GRK1, CDKL1, ARL1 SMN1; SMN2 4454/4885RAB9A 1198/4885NPC1 4471/4885
US-20110101854-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 SMN1; SMN2 4454/4885RAB9A 1198/4885NPC1 4471/4885
US-20150287936-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 SMN1; SMN2 4454/4885RAB9A 1198/4885NPC1 4471/4885
US-20180212164-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 SMN1; SMN2 4454/4885RAB9A 1198/4885NPC1 4471/4885

“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.