SCHEMBL2873648

SCHEMBL2873648

CC1=C(c2cccc3cccnc23)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.44
CCR8 P51685 4/20 0.44
CCR5 P51681 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MMP2 P08253 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL3086250 0.75 KDM4E (0.47) CCR1CCR8CCR5LMNATSHR
Hydrochloric Acid SCHEMBL1072414 0.74 CCR1 (0.46) CCR1CCR8CCR5LMNATSHR
SCHEMBL6131338 0.74 CCR1 (0.46) CCR1CCR8CCR5LMNATSHR
SCHEMBL1282008 0.72 CCR1 (0.75) CCR1CCR8CCR5LMNATSHR
SCHEMBL30184687 0.72 CCR1 (0.75) CCR1CCR8CCR5LMNATSHR
SCHEMBL7548488 0.72 CCR1 (0.56) CCR1CCR8CCR5LMNATSHR
SCHEMBL678387 0.71 NPC1 (0.56) TSHRKDM4EMAPTHTTSMN1; SMN2
SCHEMBL28592779 0.70 CCR1 (0.48) CCR1CCR8CCR5LMNATSHR
SCHEMBL30374174 0.70 CCR1 (0.48) CCR1CCR8CCR5LMNATSHR
SCHEMBL28008054 0.70 KDM4E (0.58) CCR1CCR8CCR5LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943281-B1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE BASELL POLYOLEFINE GMBH (DE) 2017-09-20 EP disclosed
US-8563674-B2 Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH (DE) 2013-10-22 US disclosed
US-20100311925-A1 Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH (DE) 2010-12-09 US disclosed
US-7767613-B2 Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH (DE) 2010-08-03 US disclosed
US-7723448-B2 Hybrid catalyst systems supported on magnesium halide BASELL POLYOLEFINE GMBH (DE) 2010-05-25 US disclosed
US-7544826-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
US-20090118445-A1 Hybrid Catalyst Systems Supported On Magnesium Halide BASELL POLYOLOLINE GMBH (DE) 2009-05-07 US disclosed
EP-1694689-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2009-03-11 EP disclosed
EP-1753794-B9 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2009-03-04 EP disclosed
EP-1753794-B8 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2008-07-16 EP disclosed
EP-1943281-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE Basell Polyolefine GmbH (DE) 2008-07-16 EP disclosed
EP-1753794-B1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2008-06-04 EP disclosed
US-20070213484-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2007-09-13 US disclosed
US-20070213205-A1 Polyethylene and Catalyst Composition for its Preparation BASELL POLYOLEFINE GMBH (DE) 2007-09-13 US disclosed
WO-2007042252-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE BASELL POLYOLEFINE GMBH (DE) 2007-04-19 WO disclosed
EP-1753794-A1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION Basell Polyolefine GmbH (DE) 2007-02-21 EP disclosed
EP-1694689-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2006-08-30 EP disclosed
WO-2005103100-A1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2005-11-03 WO disclosed
WO-2005058928-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2005-06-30 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-20070213484-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN CCR1 1180/4885CCR8 1583/4885CCR5 1939/4885

“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.