SCHEMBL5696378

SCHEMBL5696378

C1=CCC(c2cccc3cccnc23)=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.48
CCR8 P51685 4/20 0.48
CCR5 P51681 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL6046239 0.79 METAP2 (0.46) CCR1CCR5KDM4ETSHRSMN1; SMN2
SCHEMBL30184687 0.75 CCR1 (0.75) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL1282008 0.75 CCR1 (0.75) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL9673747 0.74 ALDH1A1 (0.44) KDM4ETSHRLMNAMAPTALOX15
SCHEMBL28592779 0.73 CCR1 (0.48) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL30374174 0.73 CCR1 (0.48) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL19596533 0.73 MMP2 (0.38) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL12853981 0.72 LMNA (0.68) CCR1CCR8CCR5KDM4EMMP2
SCHEMBL5696379 0.72 SLC6A3 (0.41) KDM4ETSHRMAPTALOX15SMN1; SMN2
SCHEMBL28006187 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098899-B Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH 2011-04-13 CN disclosed
CN-101824111-A Polyethylene and the catalyst composition that is used for its preparation BASELL POLYOLEFINE GMBH 2010-09-08 CN disclosed
CN-101098899-A Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH (DE) 2008-01-02 CN disclosed
EP-1370532-B1 METHOD FOR PRODUCING CYCLOPENTADIENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2006-05-17 EP disclosed
US-6995267-B2 Method for producing cyclopentadiene compounds BASELL POLYOLEFINE GMBH (DE) 2006-02-07 US disclosed
US-20040097749-A1 Method for producing cyclopentadiene compounds EQUISTAR CHEMICALS, LP 2004-05-20 US disclosed
EP-1370532-A1 METHOD FOR PRODUCING CYCLOPENTADIENE COMPOUNDS Basell Polyolefine GmbH (DE) 2003-12-17 EP disclosed
WO-2002074745-A1 METHOD FOR PRODUCING CYCLOPENTADIENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2002-09-26 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-20040097749-A1 Method for producing cyclopentadiene compounds DHPS, FDPS, CYCS CCR1 1925/4885CCR8 1441/4885CCR5 304/4885

“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.