SCHEMBL26054583

SCHEMBL26054583

COc1ncc(C(=O)C(C)(C)C)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
METAP2 P50579 1/20 0.36
ACACB O00763 2/20 0.34
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
GAA P10253 1/20 0.33
SYK P43405 1/20 0.33
HTR2A P28223 1/20 0.33
NAMPT P43490 1/20 0.33
MYC P01106 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
HPGDS O60760 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL2745323 0.81 TDP1 (0.51) PLAUPOLBTDP1CYP1A2ACACB
SCHEMBL3192298 0.79 NNMT (0.47) PLAUPOLBTDP1ACACBGAA
SCHEMBL2745387 0.79 GAA (0.42) PLAUPOLBTDP1ACACBGAA
Lithium Ion SCHEMBL28621223 0.78 PLAU (0.39) PLAUPOLBTDP1CYP1A2METAP2
Lithium Ion SCHEMBL29595061 0.78 PLAU (0.39) PLAUPOLBTDP1CYP1A2METAP2
SCHEMBL30961457 0.74 PLAU (0.36) PLAUPOLBTDP1CYP1A2ACACB
Pivalate SCHEMBL9953919 0.74 PLAU (0.36) PLAUPOLBTDP1CYP1A2METAP2
SCHEMBL31484712 0.74 QPCT (0.35) PLAUPOLBTDP1CYP1A2METAP2
Pivalate SCHEMBL9953911 0.73 PLAU (0.36) PLAUCYP1A2METAP2ACACBQPCT
SCHEMBL28589686 0.73 ELANE (0.37) PLAUCYP1A2METAP2ACACBQPCT

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 PLAU 3939/4885POLB 423/4885TDP1 93/4885

“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.