SCHEMBL3932272

SCHEMBL3932272

COC(=O)CCc1ccc(OC)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.51
HPGD P15428 2/20 0.50
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 3/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FFAR1 O14842 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL13838136 0.90 HPGD (0.58) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL9602681 0.84 FFAR1 (0.49) RPS6KB2MAPTALDH1A1LMNAKDM4E
SCHEMBL12781015 0.82 ACACA (0.43) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL9372873 0.81 RPS6KB2 (0.52) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL28384716 0.81 RPS6KB2 (0.52) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL5320621 0.79 RPS6KB2 (0.51) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL25469437 0.78 ALDH1A1 (0.53) RPS6KB2HPGDHTTALDH1A1LMNA
SCHEMBL6016146 0.78 HPGD (0.60) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL16564177 0.78 RPS6KB2 (0.50) RPS6KB2HPGDHTTMAPTALDH1A1
SCHEMBL28388339 0.77 RPS6KB2 (0.49) RPS6KB2HPGDHTTMAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 RPS6KB2 93/4885HPGD 307/4885HTT 3124/4885

“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.