SCHEMBL4303261

SCHEMBL4303261

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PTGS1 P23219 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
BHMT Q93088 3/20 0.41
CPT2 P23786 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
ACLY P53396 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 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
SCHEMBL4303264 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL27759274 0.84 HMGCR (0.42) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL25329387 0.84 PTGS1 (0.48) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL12655752 0.84 PTGS1 (0.48) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL21447986 0.83 KDM4E (0.52) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL20960490 0.80 PTGS1 (0.54) ALDH1A1MAPTPTGS1KDM4EGABRP
SCHEMBL6130129 0.79 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL6130132 0.79 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1KDM4EHMGCR
SCHEMBL4956090 0.78 PTGS1 (0.52) ALDH1A1MAPTPTGS1KDM4ESLC7A5
SCHEMBL4851556 0.78 PTGS1 (0.52) ALDH1A1MAPTPTGS1KDM4ESLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302524-A High molecular weight modified dsRNA compositions 纳诺索尔公司 2024-07-05 CN disclosed
WO-2020009231-A1 NOVEL LIPASE CAPABLE OF DECOMPOSING OIL OR FAT CONTAINING TRANS-FATTY ACID 国立大学法人名古屋大学 2020-01-09 WO disclosed
US-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-04-18 US disclosed
US-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-04-18 US disclosed
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-02-14 US disclosed
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-02-14 US disclosed
US-7541195-B2 Substrate for biomolecule microarray, biomolecule microarray, device and method of promoting interaction, and method of detecting interaction RIKEN (JP) 2009-06-02 US disclosed
US-20070037155-A1 Having biomolecule immobilization regions of prescribed shape on a biomolecule microarray, and means by which the interaction of biomolecules is rapidly conducted, the interaction of trace quantities of sample is promoted, and the interaction is detected and analyzed rapidly and with high sensitivity RIKEN (JP) 2007-02-15 US disclosed
EP-1643248-A1 SUBSTRATE FOR BIOMOLECULE MICROARRAY, BIOMOLECULE MICROARRAY, DEVICE AND METHOD FOR INTERACTION ACCELERATION, AND INTERACTION DETECTING METHOD Riken (JP) 2006-04-05 EP disclosed
US-20060046209-A1 Image forming method KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2006-03-02 US disclosed
CN-1078279-C Bleaching process comprising the use of a phenol oxidizing enzyme, a hydrogen peroxide source and an enhancing agent NOVO CHIMAIDS AS (DK) 2002-01-23 CN disclosed
CN-1161723-A Bleaching method by use of phenol oxidization enzyme, hydrogen peroxide source and enhancing agent NOVO NORDISK AS (DK) 1997-10-08 CN 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-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NPY2R, NPY1R, NPY5R ALDH1A1 4710/4885MAPT 2741/4885PTGS1 855/4885
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NPY2R, NPY1R, NPY5R ALDH1A1 4829/4885MAPT 3574/4885PTGS1 1356/4885

“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.