SCHEMBL13618706

SCHEMBL13618706

CCC(=O)OCC(COC(C)=O)CC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
PRKCA P17252 3/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL13618657 0.91 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL23049638 0.85 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL14410763 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL6929609 0.75 TDP1 (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL14207586 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL18195571 0.73 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL13615066 0.72 TDP1 (0.43) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL14191352 0.72 TSHR (0.52) ALDH1A1LMNATDP1TSHRCYP3A4
SCHEMBL3628331 0.72 TSHR (0.52) ALDH1A1LMNATDP1TSHRCYP3A4
SCHEMBL2402791 0.72 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10TDP1RECQL

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-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 US disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 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-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885LMNA 4217/4885HSD17B10 662/4885

“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.