SCHEMBL5530803

SCHEMBL5530803

CCCC(C)(C)NOC1CCCCCCCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CCR2 P41597 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
CYP2D6 P10635 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
SCHEMBL5235556 0.98 CA1 (0.34) KMT2AKDM4EHSD17B10POLBCA1
SCHEMBL5534545 0.94 CCR2 (0.30) POLBCCR2
SCHEMBL5533001 0.88 CCR2 (0.31) CCR2
SCHEMBL942235 0.77 CCR2 (0.30) CCR2
SCHEMBL943341 0.75
SCHEMBL29034970 0.73 CA1 (0.35) KMT2AKDM4EHSD17B10POLBCA1
SCHEMBL944427 0.71 THRB (0.34)
SCHEMBL978297 0.70
SCHEMBL11861011 0.69 KMT2A (0.47) KMT2AKDM4EHSD17B10POLBCA1
SCHEMBL11852548 0.69 KMT2A (0.47) KMT2AKDM4EHSD17B10POLBCA1

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 KMT2A 2762/4885KDM4E 1108/4885HSD17B10 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.