SCHEMBL3671779

SCHEMBL3671779

CC1=CC(C)C(C)=C1c1cc(Cl)ccc1NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 1/20 0.40
KMT5C Q86Y97 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.36
CRHR1 P34998 2/20 0.36
IDO1 P14902 1/20 0.35
LMNA P02545 5/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL3677454 0.87 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3673565 0.85 NPC1 (0.37) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3674922 0.82 ADORA1 (0.42) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3671142 0.82 KDM4E (0.45) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3786467 0.71 KMT5B (0.54) KMT5BKMT5CSMN1; SMN2MEN1KMT2A
SCHEMBL3677456 0.71 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AMAPTNPC1CYP1A2
SCHEMBL31196551 0.70 NPC1 (0.60) KMT5BKMT5CMEN1KMT2AMAPT
SCHEMBL3673571 0.69 CYP1A2 (0.32) MAPTCYP1A2MAPK1ALDH1A1
SCHEMBL3806267 0.68 ALOX15 (0.34) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
Lithium SCHEMBL3806270 0.68 ALOX15 (0.34) SMN1; SMN2MEN1KMT2AMAPTCYP1A2

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 KMT5B 92/4885KMT5C 86/4885SMN1; SMN2 2681/4885

“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.