SCHEMBL3676906

SCHEMBL3676906

CC1=C(c2ccc(F)cc2NC2CCCCC2)C(=O)CC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 7/20 0.35
CNR2 P34972 7/20 0.35
FAAH O00519 5/20 0.35
ACHE P22303 1/20 0.35
ABHD12 Q8N2K0 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
OPRL1 P41146 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3673876 0.88 ALDH1A1 (0.38) NPC1RAB9AACHEHDAC8LMNA
SCHEMBL3673127 0.86 KMT5B (0.38) NPC1RAB9ACNR1HDAC8LMNA
SCHEMBL3681743 0.83 IDO1 (0.39) NPC1RAB9AFAAHLMNAALDH1A1
SCHEMBL27738342 0.74 NPC1 (0.34) NPC1RAB9APOLBCNR1CNR2
SCHEMBL3673565 0.68 NPC1 (0.37) NPC1RAB9APOLBHDAC8OPRL1
SCHEMBL3669349 0.66 ACHE (0.37) RAB9AACHEALDH1A1KDM4EATM
SCHEMBL11964465 0.66 MAPT (0.59) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL31720822 0.66 MAPT (0.59) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL13450337 0.66 IDO1 (0.53) NPC1RAB9APOLBHDAC8MAPT
SCHEMBL30936578 0.64 MAPT (0.56) POLBLMNAALDH1A1MAPTCRHBP

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 10 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
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
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 2078/4885POLB 1017/4885

“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.