SCHEMBL22855852

SCHEMBL22855852

CC(=O)/C=C(\O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 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
SCHEMBL31117131 0.90
SCHEMBL8209830 0.78 CES2 (0.48) CES2CES1HDAC8HDAC6GAA
SCHEMBL19487315 0.78 CES2 (0.42) CES2CES1HDAC8HDAC6GAA
SCHEMBL29333139 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6GAA
SCHEMBL16976843 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6GAA
SCHEMBL9609535 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6GAA
SCHEMBL6122262 0.71 CES2 (0.35) CES2CES1HDAC8HDAC6TSHR
SCHEMBL13468227 0.71 CES2 (0.40) CES2CES1HDAC8HDAC6GAA
SCHEMBL6122268 0.71 CES2 (0.35) CES2CES1HDAC8HDAC6TSHR
SCHEMBL20356221 0.71 ATM (0.33) CES2CES1ALDH1A1SMN1; SMN2HSD17B10

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-11342516-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-05-24 US disclosed
US-20200411774-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-12-31 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 (2 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-11342516-B2 Organic electroluminescent materials and devices ORC3, OCIAD1, ICOSLG CES2 2122/4885CES1 3803/4885HDAC8 2599/4885
US-20200411774-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, OCIAD1, ICOSLG CES2 2122/4885CES1 3803/4885HDAC8 2599/4885

“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.