SCHEMBL6131338

SCHEMBL6131338

CC1=CCC(c2cccc3cccnc23)=C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.46
CCR8 P51685 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
CCR5 P51681 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MMP2 P08253 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL27672768 0.81 CCR1 (0.40) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL2875750 0.81 CCR1 (0.40) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL4210015 0.77 TRPV1 (0.40) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL3086250 0.76 KDM4E (0.47) CCR1CCR8KDM4EMAPTCCR5
Hydrochloric Acid SCHEMBL1072414 0.75 CCR1 (0.46) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL28008054 0.74 KDM4E (0.58) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL2873648 0.74 CCR1 (0.44) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL30184687 0.73 CCR1 (0.75) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL1282008 0.73 CCR1 (0.75) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL7548488 0.73 CCR1 (0.56) CCR1CCR8KDM4EMAPTCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354287-C Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2007-12-12 CN disclosed
US-6919412-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-07-19 US disclosed
EP-1288219-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed
US-6838563-B2 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten BASELL POLYOLEFINS (DE) 2005-01-04 US disclosed
US-6787498-B2 AS CATALYSTS FOR POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-09-07 US disclosed
US-6699948-B2 AS CATALYSTS FOR POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030055267-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-03-20 US disclosed
EP-1288219-A2 Monocyclopentadienyl complexes of chromium molybdenum or tungsten with a donor bridge Basell Polyolefine GmbH (DE) 2003-03-05 EP disclosed
CN-1399640-A Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2003-02-26 CN disclosed
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
EP-1212333-B1 MONOCYCLOPENTADIENYL COMPLEXES OF CHROMIUM, MOLYBDENUM OR TUNGSTEN WITH A DONOR BRIDGE BASELL POLYOLEFINE GMBH (DE) 2003-02-12 EP disclosed
US-6437161-B1 OLEFIN POLYMERIZATION CATALYSTS; SUBSTITUENT ON THE CYCLOPENTADIENYL RING CARRIES A DONOR FUNCTION WHICH IS BONDED RIGIDLY, NOT EXCLUSIVELY VIA SP3-HYBRIDIZED CARBON OR SILICON ATOMS, BASF AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1212333-A1 MONOCYCLOPENTADIENYL COMPLEXES OF CHROMIUM, MOLYBDENUM OR TUNGSTEN WITH A DONOR BRIDGE Basell Polyolefine GmbH (DE) 2002-06-12 EP disclosed
WO-2001012641-A1 MONOCYCLOPENTADIENYL COMPLEXES OF CHROMIUM, MOLYBDENUM OR TUNGSTEN WITH A DONOR BRIDGE BASELL POLYOLEFINE GMBH (DE) 2001-02-22 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 (3 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-20030055267-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 CCR1 180/4885CCR8 488/4885KDM4E 3587/4885
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 CCR1 180/4885CCR8 488/4885KDM4E 3587/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 CCR1 180/4885CCR8 488/4885KDM4E 3587/4885

“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.