SCHEMBL4489575

SCHEMBL4489575

COc1ccc2cc(C(=O)O)c(NCCCO)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.47
RAD52 P43351 2/20 0.46
SLC16A3 O15427 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 2/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
BRD4 O60885 2/20 0.41
HPGDS O60760 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL4487682 0.94 ALDH1A1 (0.49) RAD52SLC16A3ALDH1A1KDM4EHPGD
SCHEMBL4491458 0.90 TERT (0.50) MERTKRAD52ALDH1A1KDM4EHPGD
SCHEMBL4493667 0.89 SYK (0.46) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4495280 0.89 KMT2A (0.48) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4495043 0.89 SLC16A3 (0.46) MERTKSLC16A3ALDH1A1KDM4EHPGD
SCHEMBL4498604 0.89 NUDT1 (0.46) MERTKSLC16A3ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4474209 0.89 POLB (0.50) MERTKRAD52ALDH1A1KDM4EHPGD
SCHEMBL4487199 0.88 BRD4 (0.45) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4489484 0.88 TDP1 (0.50) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4481447 0.88 FERMT2 (0.45) SLC16A3ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 MERTK 2998/4885RAD52 1249/4885SLC16A3 3091/4885

“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.