SCHEMBL9953401

SCHEMBL9953401

C=C(c1ccccc1)c1ccc(C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ESR1 P03372 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
ESR2 Q92731 1/20 0.59
CA14 Q9ULX7 1/20 0.59
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56

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 SCHEMBL9248394 0.89 LMNA (0.66) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL25388294 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL2762273 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL55674 0.89 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL28365249 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL1404143 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL30886688 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL595705 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL29554608 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1
Ethyl Benzoate SCHEMBL28871046 0.87 LMNA (0.68) SMN1; SMN2RAB9ANPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085170-A2 PROCESS FOR MAKING ORGANOBORON COMPOUNDS, PRODUCTS OBTAINABLE THEREBY, AND THEIR USE HAAG BENJAMIN (DE) 2012-06-28 WO disclosed
US-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF SMN1; SMN2 726/4885RAB9A 2353/4885NPC1 4522/4885

“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.