SCHEMBL3671783

SCHEMBL3671783

CC1=CC(C)C(C)=C1c1ccccc1NC1CCC(Cl)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL3677456 0.89 SMN1; SMN2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3673571 0.87 CYP1A2 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3671142 0.86 KDM4E (0.45) CYP1A2TSHRMAPK1KDM4EGAA
SCHEMBL3674927 0.85 GRIN2B (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3671779 0.72 KMT5B (0.40) ALDH1A1CYP1A2MAPK1MAPT
SCHEMBL3671544 0.72 IDO1 (0.33)
SCHEMBL3677454 0.71 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL77691 0.70 CETP (0.47) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL3673565 0.69 NPC1 (0.37) ALDH1A1KDM4EGAAMAPT
SCHEMBL29127243 0.63 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2D6KDM4EGAA

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 ALDH1A1 4408/4885CYP1A2 3397/4885CYP3A4 1200/4885

“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.