SCHEMBL25515307

SCHEMBL25515307

Cc1onc(C(=O)OCc2ccccc2)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 5/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
FTO Q9C0B1 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 2/20 0.42
ADORA2A P29274 2/20 0.42
LMNA P02545 4/20 0.42
NPY1R P25929 1/20 0.41
RECQL P46063 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL20763918 0.87 TDP1 (0.45) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL23596007 0.81 TSHR (0.50) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL23596005 0.81 TDP1 (0.47) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL20763917 0.79 TDP1 (0.45) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL20844053 0.76 ALDH1A1 (0.48) HTTTDP1KMT2AFTOALDH1A1
SCHEMBL25515722 0.75 ALDH1A1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20154180 0.75 HTT (0.57) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL11495147 0.74 ALDH1A1 (0.46) HTTPKMTDP1KMT2ASLC6A2
SCHEMBL20173263 0.73 SCD (0.49) TDP1KMT2ASLC6A2SLC6A3FTO
SCHEMBL19521022 0.72 TARBP2 (0.52) HTTPKMTDP1KMT2ASLC6A2

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-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 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-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof CYP4A11, CYP4F11, SLC10A1 HTT 3713/4885PKM 1700/4885TDP1 3333/4885

“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.