SCHEMBL25515320

SCHEMBL25515320

CC(C)(C)c1c(-c2ccccc2)noc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HTR7 P34969 1/20 0.36
NR1H4 Q96RI1 3/20 0.35
FABP1 P07148 2/20 0.35
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL12168765 0.78 NR1H4 (0.47) TSHRNR1H4FABP1
SCHEMBL8931495 0.75 PTGS2 (0.59) MEN1KMT2ACYP3A4PTGS1PTGS2
SCHEMBL13853880 0.73 PTGS2 (0.53) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL2472237 0.73 KMT2A (0.49) MEN1KMT2ATSHRPTGS1POLB
SCHEMBL23906961 0.72 NOTUM (0.45) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL27729510 0.72 PTGS1 (0.40) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL1930966 0.72 KMT2A (0.48) MEN1KMT2ATSHRPTGS1NR1H4
SCHEMBL26870513 0.72 GABRA5 (0.40) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL12168769 0.72 NR1H4 (0.43) NR1H4
SCHEMBL19498010 0.71

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 MEN1 2202/4885KMT2A 4095/4885CYP1A2 113/4885

“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.