SCHEMBL1069876

SCHEMBL1069876

C/C(=N/c1c(C(C)C)cccc1C(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
KMT2A Q03164 2/20 0.49
GABRA1 P14867 4/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRB1 P18505 2/20 0.42
CYP1A2 P05177 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL1069879 1.00 LMNA (0.49) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL18544009 0.89 FURIN (0.43) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL4112405 0.83 LMNA (0.50) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL4112402 0.83 LMNA (0.50) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL18489441 0.83 LMNA (0.50) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL1638478 0.82 NPC1 (0.48) CYP1A2CYP3A4SLC6A2L3MBTL1ALDH1A1
SCHEMBL21113634 0.82 KMT2A (0.43) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL12726482 0.82 NPC1 (0.48) CYP1A2CYP3A4SLC6A2L3MBTL1ALDH1A1
SCHEMBL1638479 0.82 NPC1 (0.48) CYP1A2CYP3A4SLC6A2L3MBTL1ALDH1A1
SCHEMBL2155169 0.80 KMT2A (0.50) LMNAKMT2AGABRA1GABRG2GABRB3

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
EP-1861409-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7776980-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2010-08-17 US disclosed
US-20090018292-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2009-01-15 US disclosed
EP-1861409-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-12-05 EP disclosed
WO-2006100004-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-09-28 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-20090018292-A1 Monocyclopentadienyl Complexes TKT, KMO, PKM LMNA 3093/4885KMT2A 1095/4885GABRA1 3978/4885

“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.