SCHEMBL1015355

SCHEMBL1015355

COC(=O)CC(=O)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 5/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL909706 0.98 EPHX1 (0.46) KMT2AEPHX1HPGDEPHX2MGAM
SCHEMBL28055530 0.96 MGAM (0.39) KMT2AEPHX1HPGDEPHX2MGAM
SCHEMBL3956402 0.91 MGAM (0.42) KMT2AEPHX1HPGDEPHX2MGAM
SCHEMBL868953 0.85 BRD4 (0.47) KMT2AEPHX1HPGDEPHX2ALDH1A1
SCHEMBL10584364 0.84 EPHX1 (0.44) KMT2AEPHX1HPGDEPHX2L3MBTL1
SCHEMBL106265 0.83 KMT2A (0.50) KMT2AEPHX1HPGDEPHX2ALDH1A1
SCHEMBL8099254 0.83 KMT2A (0.50) KMT2AEPHX1HPGDEPHX2ALDH1A1
SCHEMBL14606391 0.83 KMT2A (0.50) KMT2AEPHX1HPGDEPHX2ALDH1A1
SCHEMBL28207514 0.83 BRD4 (0.46) KMT2AEPHX1HPGDEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL27660647 0.83 BRD4 (0.46) KMT2AEPHX1HPGDEPHX2ALDH1A1

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-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 KMT2A 1860/4885EPHX1 293/4885HPGD 54/4885

“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.