SCHEMBL4901424

SCHEMBL4901424

CCC(CC)(C(C)=O)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
DGAT1 O75907 1/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 4/20 0.33
PKM P14618 2/20 0.33
PTPRB P23467 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.32
KCNN4 O15554 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
PTPN2 P17706 1/20 0.31

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
SCHEMBL809243 0.86 DGAT1 (0.40) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL17652959 0.84 HMGCR (0.34) ALDH1A1DGAT1POLBTSHRPTPRB
SCHEMBL248263 0.84 ALDH1A1 (0.32) ALDH1A1GAAHSD17B10LMNATDP1
SCHEMBL29674742 0.83 DGAT1 (0.39) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL9723233 0.83 ALDH1A1 (0.33) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL29693811 0.83 CYP1A2 (0.33)
SCHEMBL28132221 0.83 MMP8 (0.40) ALDH1A1TDP1
SCHEMBL27795255 0.83 TSHR (0.33) ALDH1A1TSHRPKMPTPRBKDM4E
SCHEMBL12809727 0.81 TSHR (0.44) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL25302909 0.80

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
US-9546261-B2 Stabilizing of organic material with amino-triazine based mannich-compounds BOREALIS AG (AT) 2017-01-17 US disclosed
US-20140235766-A1 Stabilizing of Organic Material with Amino-Triazine Based Mannich-Compounds BOREALIS AG (AT) 2014-08-21 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ALDH1A1 2859/4885GAA 126/4885MGAM 713/4885
US-20140235766-A1 Stabilizing of Organic Material with Amino-Triazine Based Mannich-Compounds PCNA, SOD1, UBE2M ALDH1A1 3108/4885GAA 3145/4885MGAM 894/4885

“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.