SCHEMBL1069166

SCHEMBL1069166

Cc1nc2[c]cccc2c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL4573051 0.71 GPR3 (0.39) ALDH1A1PDE10AL3MBTL1GPR3
SCHEMBL5510470 0.68 PDE10A (0.37) ALDH1A1SMN1; SMN2PDE10ANPC1GPR3
SCHEMBL21571314 0.68 CYP2A6 (0.35) CYP2A6
SCHEMBL16321762 0.67 PARP1 (0.54) ALDH1A1SMN1; SMN2NPC1
SCHEMBL8157747 0.66 NPC1 (0.33) NPC1HSP90AA1L3MBTL1CYP2A6
SCHEMBL231530 0.66 GPR3 (0.64) ALDH1A1SMN1; SMN2PDE10AGPR3
SCHEMBL1951437 0.64 CCR1 (0.43) ALDH1A1SMN1; SMN2NPC1HSP90AA1L3MBTL1
SCHEMBL5312566 0.64 DCPS (0.48) ALDH1A1
SCHEMBL1071858 0.64 CYP1A2 (0.46) CYP2A6
Ammonia Solution, Strong SCHEMBL28822932 0.64 GPR3 (0.61) ALDH1A1SMN1; SMN2PDE10AGPR3

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-7973114-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2011-07-05 US disclosed
EP-1861409-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7834112-B2 Method of polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2010-11-16 US disclosed
US-7795167-B2 Cyclopentadienyl complexes of group 6 substituted by silyl halides BASELL POLYOLEFINE GMBH (DE) 2010-09-14 US disclosed
US-7776980-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2010-08-17 US disclosed
EP-1572359-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2010-04-28 EP disclosed
US-7629464-B2 polymerization catalyst for the polymerization of olefins; molecular weight control of polyethylene, ethylene-hexene copolymer; addition polymerization; 1-(diisopropyl(2-oxypyridine)silyl)-3-methylcyclopentadienyl)chromium dichloride BASELL POLYOLEFINE GMBH (DE) 2009-12-08 US disclosed
US-7619090-B2 Monocyclopentadienyl complexes comprising a condensed heterocycle BASELL POLYOLEFINE GMBH (DE) 2009-11-17 US disclosed
US-7544826-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
WO-2004020479-A2 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-11 WO disclosed
WO-2004018489-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-04 WO disclosed
US-6699948-B2 AS CATALYSTS FOR POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20040033890-A1 Catalyst system for carrying out olefin polymerization comprising a calcined hydro-talcite serving as a supporting material LYONDELL CHEMICAL TECHNOLOGY, L.P. 2004-02-19 US disclosed
US-20030176275-A1 Catalytic solid supported on calcined hydrotalcite for olefinic polymerisation BASELL POLYOLEFINE GMBH (DE) 2003-09-18 US disclosed
WO-2003054027-A1 CATALYST SOLID COMPRISING PYROGENIC SILICA FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2003-07-03 WO disclosed
US-20030055267-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-03-20 US disclosed
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US 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

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 ALDH1A1 4462/4885SMN1; SMN2 992/4885PDE10A 4821/4885
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 ALDH1A1 4462/4885SMN1; SMN2 992/4885PDE10A 4821/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 ALDH1A1 4462/4885SMN1; SMN2 992/4885PDE10A 4821/4885

“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.