SCHEMBL10150498

SCHEMBL10150498

C=CC(=O)OCOC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
SOAT1 P35610 1/20 0.44
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 3/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 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
SCHEMBL28488999 0.89 TSHR (0.52) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL8500880 0.83 TSHR (0.59) ALDH1A1TSHRHPGDSOAT1TP53
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.82 TSHR (0.60) ALDH1A1TSHRHPGDSOAT1TP53
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.82 TSHR (0.60) ALDH1A1TSHRHPGDSOAT1TP53
Acrylic Acid Ethyl Ester SCHEMBL3180 0.82
SCHEMBL14733221 0.82 ALDH1A1 (0.81) ALDH1A1TSHRSOAT1HSD17B10THRB
SCHEMBL268400 0.82 TSHR (0.59) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL28312670 0.82 TSHR (0.47) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL8454420 0.81 TSHR (0.72) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL25363687 0.80 TSHR (0.67) ALDH1A1TSHRHPGDSOAT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106165181-B Electric device 日产自动车株式会社 2019-08-20 CN disclosed
CN-109792037-A Anode for nonaqueous electrolyte secondary battery 日产自动车株式会社 2019-05-21 CN disclosed
CN-109792036-A Positive electrode for nonaqueous electrolyte secondary battery 日产自动车株式会社 2019-05-21 CN disclosed
CN-106165181-A Electric device 日产自动车株式会社 2016-11-23 CN disclosed
US-8173350-B2 Oxime compound and resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-01-28 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-20100021847-A1 Oxime Compound and Resist Composition Containing the Same CYC1, UQCRB, CBR1 ALDH1A1 1280/4885TSHR 841/4885HPGD 1910/4885

“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.