SCHEMBL3521758

SCHEMBL3521758

CNc1ccccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPP2 Q13822 1/20 0.31
HTR6 P50406 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30

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
SCHEMBL3351205 0.82 KDM4E (0.37) KDM4EPOLBALDH1A1HPGDRECQL
SCHEMBL9893708 0.82 TSHR (0.36) ALDH1A1MAPTNPSR1
SCHEMBL3242695 0.82 SMN1; SMN2 (0.43) POLBALDH1A1HPGDHSD17B10
SCHEMBL9893573 0.81 KEAP1 (0.39) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5899432 0.80 TSHR (0.36) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL924510 0.79 RXFP1 (0.40) POLB
SCHEMBL22684752 0.78 ENPP2 (0.33) ENPP2ORAI1ORAI2ORAI3
SCHEMBL1533817 0.78 TDP1 (0.37) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL668320 0.77 SLC6A4 (0.33) KDM4EPOLBALDH1A1MAPT
SCHEMBL4520012 0.77 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 KDM4E 176/4885POLB 1207/4885ATM 4674/4885

“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.