SCHEMBL21158052

SCHEMBL21158052

C=CN/C(N)=C(\N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL6866550 0.80 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4ALOX15HSD17B10
Bicarbonate SCHEMBL27619866 0.76 TSHR (0.40) ALDH1A1TSHRFGFR4ALOX15HSD17B10
SCHEMBL464885 0.75
SCHEMBL12657792 0.74
Formaldehyde SCHEMBL29225333 0.73
Ethylene SCHEMBL27770741 0.73
SCHEMBL27797811 0.73
Acrylic Acid SCHEMBL6314191 0.72 LMNA (0.53) ALDH1A1TSHRFGFR4ALOX15HSD17B10
Acetic Acid SCHEMBL11810222 0.72 CRBN (0.43) ALDH1A1TSHRFGFR4ALOX15HSD17B10
Methacrylic Acid SCHEMBL6314204 0.71 TDP1 (0.42) ALDH1A1TSHRFGFR4ALOX15HSD17B10

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
WO-2021143724-A1 4-UREIDO-5-CARBOXYL-IMIDAZOLE-AMIDE HYDROLASE AND USE THEREOF 天津大学 2021-07-22 WO disclosed
US-20190209493-A1 NOVEL APPLICATIONS OF SPERMINE AND DERIVATIVES THEREOF GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 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-20190209493-A1 NOVEL APPLICATIONS OF SPERMINE AND DERIVATIVES THEREOF ADSL, SMS, SRM ALDH1A1 1359/4885TSHR 2796/4885FGFR4 4770/4885

“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.