SCHEMBL21140133

SCHEMBL21140133

CC(O)CNCC(O)COCCOCC(O)CN

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
POLB P06746 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
SCHEMBL13946699 0.81 HSD17B10 (0.56) KDM4EHSD17B10MEN1KMT2AADRB2
SCHEMBL15641135 0.80 GABRR1 (0.33) KDM4EALDH1A1TDP1
SCHEMBL19969964 0.79 KDM4E (0.46) KDM4EHSD17B10MEN1KMT2AADRB2
SCHEMBL3883091 0.78 HTT (0.61) HTTKDM4EHSD17B10MEN1KMT2A
SCHEMBL13989307 0.78 HTT (0.50) HTTKDM4EHSD17B10MEN1KMT2A
SCHEMBL1471751 0.76 HTT (0.59) HTTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL9928007 0.75 KDM4E (0.42) HTTKDM4EHSD17B10ADRB2ADRB1
SCHEMBL13947072 0.74 HSD17B10 (0.52) HTTKDM4EHSD17B10ADRB2ADRB1
SCHEMBL11233531 0.73 KDM4E (0.52) HTTKDM4EHSD17B10TDP1POLB
SCHEMBL710304 0.72 HTT (0.57) HTTKDM4EHSD17B10MEN1KMT2A

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 HTT 4563/4885KDM4E 3469/4885HSD17B10 984/4885

“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.