SCHEMBL4798640

SCHEMBL4798640

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
TGM2 P21980 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10639382 1.00 VCP (0.50) VCPALDH1A1GAADPP8DPP9
Ammonia Solution, Strong SCHEMBL4804478 0.99 VCP (0.49) VCPALDH1A1GAADPP8DPP9
SCHEMBL10636763 0.89 DPP8 (0.48) VCPALDH1A1GAADPP8DPP9
SCHEMBL594858 0.84 ALDH1A1 (0.67) ALDH1A1GAATPSAB1TPSD1TPSG1
SCHEMBL594857 0.84 ALDH1A1 (0.67) ALDH1A1GAATPSAB1TPSD1TPSG1
SCHEMBL3334590 0.83 MGLL (0.52) VCPALDH1A1FAAHACHESMN1; SMN2
SCHEMBL10808476 0.83 ALDH1A1 (0.70) ALDH1A1GAADPP8DPP9TDP1
SCHEMBL10808480 0.83 ALDH1A1 (0.70) ALDH1A1GAADPP8DPP9TDP1
SCHEMBL4797282 0.83 ALDH1A1 (0.52) VCPALDH1A1GAATDP1TPSAB1
SCHEMBL4795836 0.83 ALDH1A1 (0.52) ALDH1A1GAATPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
US-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 US disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 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 (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-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR VCP 3573/4885ALDH1A1 1854/4885GAA 35/4885

“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.