SCHEMBL5528802

SCHEMBL5528802

CC(=O)C(ONc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
GAA P10253 6/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.42
KLK7 P49862 2/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 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
SCHEMBL943432 0.81 HSD17B10 (0.45) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL941724 0.79 NAPRT (0.47) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL943554 0.76 NAPRT (0.44) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL943520 0.76 MAPT (0.51) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL942415 0.74 TSHR (0.43) HSD17B10NAPRTGAAMAPTLMNA
SCHEMBL5531985 0.74 KLK7 (0.46) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL942242 0.73 GAA (0.46) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL10697600 0.72 TDP1 (0.44) HSD17B10NAPRTGAAMAPTALDH1A1
SCHEMBL2255542 0.72 TDP1 (0.48) HSD17B10GAAMAPTALDH1A1LMNA
SCHEMBL941791 0.71 SRR (0.47) KMT2AMEN1NPC1RAB9A

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 HSD17B10 87/4885NAPRT 1128/4885GAA 168/4885

“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.