SCHEMBL4210015

SCHEMBL4210015

CCCCCC1=CCC(c2cccc3cccnc23)=C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 1/20 0.37
CNR1 P21554 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTT P42858 2/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
Hydrochloric Acid SCHEMBL4195070 0.78 TRPV1 (0.38) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6131338 0.77 CCR1 (0.46) MAPTKDM4ELMNATSHRSMN1; SMN2
SCHEMBL2875750 0.72 CCR1 (0.40) MAPTKDM4ELMNATSHRSMN1; SMN2
SCHEMBL27672768 0.72 CCR1 (0.40) MAPTKDM4ELMNATSHRSMN1; SMN2
SCHEMBL2084240 0.70 TRPV1 (0.50) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6115058 0.68 TRPV1 (0.49) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6114788 0.68 TRPV1 (0.49) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6114571 0.68 TRPV1 (0.49) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6114947 0.68 TRPV1 (0.49) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL6114475 0.68 TRPV1 (0.49) TRPV1MAPTKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544826-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
EP-1694689-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2009-03-11 EP disclosed
US-20070213484-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2007-09-13 US disclosed
EP-1694689-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2006-08-30 EP 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 TRPV1 2713/4885MAPT 1371/4885KDM4E 2568/4885

“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.