SCHEMBL23360775

SCHEMBL23360775

CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1c1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC5 Q9UQL6 1/20 0.45
CNR2 P34972 8/20 0.39
PTGER2 P43116 3/20 0.37
PTGER3 P43115 2/20 0.37
GPR119 Q8TDV5 3/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.35
PTGDR Q13258 2/20 0.35

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
SCHEMBL29291675 0.84 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL29291673 0.84 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL2570723 0.80 MAPT (0.49) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL2570725 0.80 MAPT (0.49) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL6994953 0.77 P2RX7 (0.37) HDAC6CNR2PTGER2PTGER3CYP2C8
SCHEMBL16691755 0.76 HDAC1 (0.46) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL9101843 0.75 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL2571004 0.75 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL28693724 0.73 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5CNR2
SCHEMBL16692964 0.73 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5CNR2

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-20210147371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 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-20210147371-A1 OXADIAZOLINE DERIVATIVES DDT, FOXO3, PDCD4 HDAC6 215/4885HDAC1 516/4885HDAC8 231/4885

“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.