SCHEMBL21784331

SCHEMBL21784331

CC(C)(C)OCCS(=O)(=O)CCCC(C)(C)OCCn1cncn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL823913 0.79 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR
SCHEMBL27134481 0.71 EGLN3 (0.48) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR
SCHEMBL27134470 0.68 EGLN3 (0.52) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR
SCHEMBL23179030 0.67 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2TSHRMEN1
SCHEMBL13017117 0.62 EGLN3 (0.44) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR
SCHEMBL10721461 0.61 EGLN3 (0.47) ALDH1A1MAPTSMN1; SMN2EGLN3MEN1
SCHEMBL824045 0.59
SCHEMBL3371124 0.59 EGLN3 (0.44) ALDH1A1MAPTSMN1; SMN2EGLN3MEN1
SCHEMBL1161082 0.59 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR
SCHEMBL27237561 0.59 EGLN3 (0.48) ALDH1A1MAPTSMN1; SMN2EGLN3TSHR

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-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 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-11135227-B2 Oxygen linked pyrimidine derivatives DPYD, TK2, TK1 ALDH1A1 1035/4885MAPT 3394/4885SMN1; SMN2 2852/4885
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 ALDH1A1 1035/4885MAPT 3394/4885SMN1; SMN2 2852/4885

“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.