SCHEMBL4693129

SCHEMBL4693129

COc1ccc(CCN(CCCO)C(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
AOC3 Q16853 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
LDHA P00338 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
ACHE P22303 1/20 0.47
CDK8 P49336 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SMPD1 P17405 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4690968 0.88 KDM4E (0.55) CYP1A2CYP3A4CYP2D6L3MBTL1BLM
SCHEMBL5464537 0.84 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6L3MBTL1BLM
SCHEMBL81112 0.81 KDM4E (0.63) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL7266646 0.80 CYP3A4 (0.79) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL4860600 0.79 KDM4E (0.61) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL901495 0.79 L3MBTL1 (0.54) CYP1A2CYP3A4CYP2D6L3MBTL1BLM
SCHEMBL7156624 0.79 PLAAT3 (0.56) KDM4EPOLBLDHAPLAAT3PLAAT5
SCHEMBL5464541 0.79 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2D6L3MBTL1BLM
SCHEMBL4694221 0.78 AOC3 (0.43) CYP1A2CYP3A4CYP2D6L3MBTL1BLM
SCHEMBL9506664 0.78 KDM4E (0.59) CYP1A2CYP3A4CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682547-B1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2012-10-24 EP disclosed
EP-1682547-A4 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2008-12-31 EP disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
EP-1682547-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-26 EP disclosed
US-20050239814-A1 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-10-27 US disclosed
WO-2005042530-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-05-12 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-20050239814-A1 RSV polymerase inhibitors POLR2E, POLR2H, POLR2A CYP1A2 3056/4885CYP3A4 2628/4885CYP2D6 3427/4885

“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.