SCHEMBL5532604

SCHEMBL5532604

CCCC(ONc1ccccc1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
ALOX5 P09917 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
HDAC2 Q92769 2/20 0.38
KLK7 P49862 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5534365 0.88 HDAC8 (0.45) ALDH1A1HDAC2HDAC3HDAC4HDAC1
SCHEMBL5531985 0.87 KLK7 (0.46) HSD17B10TSHRGAAALDH1A1MAPT
SCHEMBL941791 0.81 SRR (0.47) PPARGPPARAMEN1KMT2ANPC1
SCHEMBL22957989 0.76 AOC3 (0.42) HSD17B10TSHRGAAALDH1A1MAPT
SCHEMBL941724 0.75 NAPRT (0.47) HSD17B10TSHRGAAALDH1A1MAPT
SCHEMBL944035 0.75 ALDH1A1 (0.38) PPARGPPARAHSD17B10TSHRALDH1A1
SCHEMBL943432 0.74 HSD17B10 (0.45) HSD17B10TSHRGAAALDH1A1MAPT
SCHEMBL812348 0.73 HPGD (0.37) PPARGPPARAHSD17B10TSHRGAA
SCHEMBL809579 0.73 HPGD (0.37) PPARGPPARAHSD17B10TSHRGAA
SCHEMBL943520 0.73 MAPT (0.51) HSD17B10TSHRGAAALDH1A1MAPT

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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH PPARG 4745/4885PPARA 4643/4885HSD17B10 87/4885

“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.