SCHEMBL419528

SCHEMBL419528

CC(=O)OCC(N)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TSHR P16473 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL683686 1.00 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL770417 0.83 NOS3 (0.56) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL598363 0.83 NOS3 (0.56) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL9980878 0.83 NOS3 (0.56) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL770416 0.83 NOS3 (0.56) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL8363277 0.83 NOS3 (0.43) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL12662808 0.81 TSHR (0.39) NOS3NOS1NOS2TSHR
SCHEMBL887191 0.81 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10NOS3
Hydrogen Sulfide SCHEMBL22463012 0.81 NOS3 (0.55) TDP1ALDH1A1LMNAHSD17B10NOS3
Hydrochloric Acid SCHEMBL7592766 0.81 NOS1 (0.55) TDP1ALDH1A1LMNAHSD17B10NOS3

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-20150126568-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HYPERTENSION AND MANAGEMENT OF DIABETIC KIDNEY DISEASE KANDULA MAHESH (IN) 2015-05-07 US disclosed
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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 (2 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-20150126568-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HYPERTENSION AND MANAGEMENT OF DIABETIC KIDNEY DISEASE REN, SLC5A1, SLC5A2 TDP1 4378/4885ALDH1A1 1864/4885LMNA 1638/4885
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TDP1 2649/4885ALDH1A1 1739/4885LMNA 1458/4885

“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.