SCHEMBL4484697

SCHEMBL4484697

COc1ccc2cc(C(=O)O)c(NC3CCCCC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
RAB9A P51151 5/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MERTK Q12866 3/20 0.48
AXL P30530 1/20 0.48
CCR4 P51679 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SYK P43405 1/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4486558 0.84 KDM4E (0.42) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL5203834 0.81 KDR (0.47) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL17241734 0.76 SYK (0.47) RAB9AKDM4EALDH1A1MERTKSYK
SCHEMBL4487533 0.76 KDM4E (0.45) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL4482947 0.76 AKR1C3 (0.58) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL4478343 0.76 KDM4E (0.62) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL496141 0.75 POLB (0.54) RAB9AMERTKAXLCCR4SYK
SCHEMBL4487682 0.75 ALDH1A1 (0.49) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL4495043 0.75 SLC16A3 (0.46) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL4495216 0.74 CXCR5 (0.46) KDM4EPOLBKMT2AMAPTL3MBTL1

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 HPGDS 2702/4885RAB9A 1181/4885KDM4E 1641/4885

“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.