SCHEMBL6131362

SCHEMBL6131362

CC1=Cc2ccccc2C1c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40

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 SCHEMBL1072120 0.83 ALDH1A1 (0.43) LMNAALDH1A1MAPTKDM4ECCR1
SCHEMBL6131357 0.82 ALDH1A1 (0.42) LMNAALDH1A1MAPTKDM4ECCR1
SCHEMBL6131340 0.78 ALDH1A1 (0.39) LMNAALDH1A1MAPTKDM4ECCR1
SCHEMBL6459127 0.77 ALDH1A1 (0.39) LMNAALDH1A1MAPTKDM4ECCR1
Hydrochloric Acid SCHEMBL7198950 0.76 ALDH1A1 (0.38) LMNAALDH1A1MAPTKDM4ECCR1
SCHEMBL5477612 0.76 KDM1A (0.44) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL28517555 0.74 KDM4E (0.54) LMNAALDH1A1MAPTKDM4ECCR1
SCHEMBL7034020 0.72 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL1071469 0.72 SMN1; SMN2 (0.43) LMNAALDH1A1MAPTKDM4ECCR1
Hydrochloric Acid SCHEMBL7937366 0.72 HSD17B10 (0.37) ALDH1A1MAPTTDP1TSHRCYP3A4

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-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
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 LMNA 3742/4885ALDH1A1 4462/4885MAPT 3160/4885
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 LMNA 3742/4885ALDH1A1 4462/4885MAPT 3160/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 LMNA 3742/4885ALDH1A1 4462/4885MAPT 3160/4885

“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.