SCHEMBL17683528

SCHEMBL17683528

CCCOCCC(O)COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL14528315 0.86 HSD17B10 (0.50) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL7759802 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL14700391 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL562161 0.81 HSD17B10 (0.59) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL25906803 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4USP2MEN1
SCHEMBL340271 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL3841838 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL12350093 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL6131221 0.78 TDP1 (0.48) ALDH1A1HSD17B10CYP3A4USP2MAPT
SCHEMBL29011637 0.77 HSD17B10 (0.50) HSD17B10CYP3A4USP2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102179-A1 HYROPHILIC ETHYLENE OXIDE FREE EMULSIFIER COMPRISING DENDRIMERIC POLYHYDROXYLATED ESTER MOIETIES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-04-14 — — 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-20160102179-A1 HYROPHILIC ETHYLENE OXIDE FREE EMULSIFIER COMPRISING DENDRIMERIC POLYHYDROXYLATED ESTER MOIETIES HAO2, PAOX, ELOVL1 ALDH1A1 1610/4885HSD17B10 338/4885CYP3A4 1816/4885

“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.

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