SCHEMBL3674808

SCHEMBL3674808

Cc1ccc(NC2CCCCC2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
YAP1 P46937 1/20 0.41
ALOX15 P16050 1/20 0.41

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
Methylamine SCHEMBL28000459 0.80 MAPT (0.44) NPC1RAB9AALDH1A1KDM4EHDAC8
SCHEMBL12989766 0.80 IRAK4 (0.41) NPC1RAB9AL3MBTL1HPGDPOLB
SCHEMBL3673483 0.79 KMT5B (0.50) NPC1RAB9AKDM4EHDAC8MAPT
SCHEMBL18010743 0.79 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL14051378 0.79 MAPT (0.59) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL3681747 0.79 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4EHDAC8
SCHEMBL20384219 0.79 ALDH1A1 (0.43) RAB9AL3MBTL1ALDH1A1KDM4EHDAC8
SCHEMBL5608474 0.79 HDAC8 (0.59) L3MBTL1ALDH1A1KDM4EHDAC8MAPT
SCHEMBL3679064 0.78 MAPT (0.41) ALDH1A1KDM4EHDAC8MAPTLMNA
SCHEMBL16334269 0.77 KMT5B (0.51) NPC1RAB9AL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966225-B1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEMICAL LTD (KR) 2013-12-25 EP disclosed
EP-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
CN-102558245-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD 2012-07-11 CN disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 US disclosed
US-7678933-B2 Transition metal complexes and preparation methods thereof LG CHEM, LTD. (KR) 2010-03-16 US disclosed
US-20090030221-A1 Transition Metal Complexes and Preparation Methods Thereof LG CHEM, LTD (KR) 2009-01-29 US disclosed
US-20090005525-A1 Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same LG CHEM , LTD. (KR) 2009-01-01 US disclosed
CN-101300261-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD (KR) 2008-11-05 CN disclosed
CN-101296932-A Transition metal complex and preparation method thereof LG CHEMICAL LTD (KR) 2008-10-29 CN disclosed
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
EP-1966225-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG Chem, Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078134-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEM. LTD. (KR) 2007-07-12 WO disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 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-20090030221-A1 Transition Metal Complexes and Preparation Methods Thereof PICALM, TEC, PPIP5K2 NPC1 2837/4885RAB9A 2078/4885L3MBTL1 4576/4885

“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.